Sugi Predict

Sugi Predict / Compounds / SCHEMBL8540202

SCHEMBL8540202

SCHEMBL8540202

C[C@]12CC[C@H]3[C@@H](CCC4NC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2/C=C/c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 12/20 0.51
▸ SRD5A2 P31213 10/20 0.51
▸ LMNA P02545 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ ABCC4 O15439 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ HSD3B1 P14060 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ THPO P40225 1/20 0.49
▸ BLM P54132 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8540199 1.00 SRD5A1 (0.51) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8536979 0.89 SRD5A1 (0.52) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8536982 0.89 SRD5A1 (0.52) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8538603 0.84 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8538606 0.84 SRD5A1 (0.54) SRD5A1SRD5A2
SCHEMBL8543028 0.83 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8543025 0.83 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8543578 0.82 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8541791 0.81 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8541787 0.81 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 — — EP claimed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO claimed
US-5760045-A BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1998-06-02 — — US disclosed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 — — US disclosed
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 — — US disclosed
EP-0646007-B1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONES AS 5$g(a)-REDUCTASE INHIBITORS MERCK & CO INC (US) 1997-08-13 — — EP disclosed
EP-0778284-A2 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO. INC. (US) 1997-06-11 — — EP disclosed
US-5510351-A PREGNANE ENZYME INHIBITOR FOR TREATING SKIN DISORDER, BALDNESS, PROSTATIC CANCER MERCK & CO., INC. (US) 1996-04-23 — — US disclosed
EP-0646007-A4 — — 1995-04-26 — — EP disclosed
EP-0646007-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONES AS 5-g(a)-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-04-05 — — EP disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 — — EP disclosed
WO-1993023039-A1 SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed
WO-1993023050-A1 NEW DELTA-17 AND DELTA-20 OLEFINIC AND SATURATED 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 — — WO disclosed