SCHEMBL10677887

SCHEMBL10677887

O=C(CCCc1nnnn1-c1ccccc1)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.57
▸ ALDH1A1 P00352 2/20 0.49
▸ LMNA P02545 2/20 0.48
▸ HDAC1 Q13547 5/20 0.47
▸ HDAC8 Q9BY41 5/20 0.47
▸ HDAC6 Q9UBN7 5/20 0.47
▸ HDAC3 O15379 4/20 0.47
▸ HDAC2 Q92769 4/20 0.47
▸ HDAC10 Q969S8 4/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HDAC4 P56524 4/20 0.47
▸ HDAC7 Q8WUI4 4/20 0.47
▸ HDAC11 Q96DB2 4/20 0.47
▸ HDAC9 Q9UKV0 4/20 0.47
▸ HDAC5 Q9UQL6 4/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ NCOR1 O75376 1/20 0.47

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
SCHEMBL10681888 0.85 CYP1A2 (0.57) HSD11B1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10675255 0.85 HSD11B1 (0.51) HSD11B1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10672820 0.84 HSD11B1 (0.66) HSD11B1ALDH1A1LMNAHDAC1HDAC8
SCHEMBL10678114 0.83 HSD11B1 (0.51) HSD11B1ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL10675951 0.82 HSD11B1 (0.55) HSD11B1ALDH1A1
SCHEMBL10675268 0.81 HSD11B1 (0.53) HSD11B1ALDH1A1KMT2ASMN1; SMN2TP53
SCHEMBL10680871 0.80 HSD11B1 (0.55) HSD11B1ALDH1A1SMN1; SMN2TP53
SCHEMBL10675251 0.80 ALDH1A1 (0.65) ALDH1A1LMNAMEN1KMT2ACYP3A4
SCHEMBL10670995 0.80 HSD11B1 (0.64) HSD11B1ALDH1A1LMNAMEN1KMT2A
SCHEMBL10677845 0.79 ALDH1A1 (0.55) HSD11B1ALDH1A1LMNAMEN1KMT2A

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
US-4766120-A ANTIINFLAMMATORY AGENTS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-08-23 — — US disclosed
US-4663323-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-05-05 — — US disclosed
EP-0035046-B1 NOVEL TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-10-02 — — EP disclosed
US-4540703-A Tetrazole derivatives, anti-ulcer composition containing the same and method for treating ulcers OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1985-09-10 — — US disclosed
EP-0035046-A1 Novel tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 — — EP disclosed
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