SCHEMBL6273537

SCHEMBL6273537

COc1ccc(C(C)=O)c2c1CCN2C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 10/20 0.57
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MAOB P27338 1/20 0.37

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
SCHEMBL30730949 0.78 KMT2A (0.63) NOTUMALDH1A1LMNAKDM4EMEN1
SCHEMBL6273233 0.78 KMT2A (0.63) NOTUMALDH1A1LMNAKDM4EMEN1
SCHEMBL6270911 0.77 NOTUM (0.51) NOTUMLMNAMEN1CYP1A2KMT2A
SCHEMBL30730960 0.73 NOTUM (1.00) NOTUMALDH1A1
SCHEMBL3895361 0.73 NOTUM (1.00) NOTUMALDH1A1
SCHEMBL12565602 0.71 ALDH1A1 (0.50) NOTUMALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3427457 0.71 ALDH1A1 (0.50) NOTUMALDH1A1LMNAKDM4EHSD17B10
SCHEMBL29449727 0.71 TP53 (0.55) NOTUMALDH1A1LMNAKDM4EHSD17B10
SCHEMBL28710183 0.71 TP53 (0.55) NOTUMALDH1A1LMNAKDM4EHSD17B10
SCHEMBL29187823 0.71 NOTUM (0.47) NOTUMALDH1A1LMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161418-B1 1-ACYL-7-NITROINDOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PHOTOCLEAVABLE PRECURSORS MEDICAL RES COUNCIL (GB) 2005-12-28 — — EP disclosed
US-6765014-B1 DRUG DELIVERY OF NEUROACTIVE AMINO ACIDS OR METAL CHELATORS MEDICAL RESEARCH COUNCIL (GB) 2004-07-20 — — US disclosed
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