SCHEMBL9153676

SCHEMBL9153676

Nc1cccc(C(=O)n2cc(CC(=O)O)c3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.50
AKR1C2 P52895 3/20 0.50
ELANE P08246 5/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
AKR1C4 P17516 1/20 0.45
PTGS1 P23219 1/20 0.45
ABCB1 P08183 2/20 0.45
PBRM1 Q86U86 1/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDC25A P30304 1/20 0.43
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL9149567 0.88 OXER1 (0.48) AKR1C3AKR1C2ELANEALDH1A1PBRM1
SCHEMBL9154226 0.86 OXER1 (0.55) ELANEALDH1A1PBRM1KMT2AL3MBTL1
SCHEMBL27474952 0.85 AKR1C3 (0.59) AKR1C3AKR1C2ELANEALDH1A1LMNA
Hydrochloric Acid SCHEMBL9156117 0.85 OXER1 (0.54) ELANEALDH1A1PBRM1KMT2AL3MBTL1
SCHEMBL9156919 0.85 OXER1 (0.56) ELANEALDH1A1PBRM1KMT2AL3MBTL1
SCHEMBL9150530 0.84 OXER1 (0.58) ELANEPBRM1KMT2AL3MBTL1DYRK1A
SCHEMBL4216463 0.80 AKR1C3 (0.58) AKR1C3AKR1C2ALDH1A1LMNAAKR1C4
SCHEMBL13802421 0.78 KMT2A (0.57) AKR1C3AKR1C2ALDH1A1LMNAAKR1C4
SCHEMBL12479702 0.77 CDC25A (0.51) ALDH1A1LMNAL3MBTL1CDC25AKDM4E
SCHEMBL2467334 0.76 CDC25A (0.54) AKR1C3AKR1C2ALDH1A1LMNAL3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516849-B1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-25 EP disclosed
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0516849-A1 INDOLE DERIVATIVES. FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 EP disclosed
WO-1991013060-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-05 WO disclosed
CN-1054250-A INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1991-09-04 CN disclosed