SCHEMBL7956828

SCHEMBL7956828

c1ccc(CCN2CCc3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.72
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
USP2 O75604 1/20 0.72
CDK4 P11802 1/20 0.72
ALOX15 P16050 1/20 0.72
CCND1 P24385 1/20 0.72
MAPT P10636 4/20 0.61
KDM4E B2RXH2 2/20 0.61
POLB P06746 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 2/20 0.60
LMNA P02545 1/20 0.58
PTK2B Q14289 1/20 0.58
ESR2 Q92731 1/20 0.58
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
TSHR P16473 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL10684164 0.90 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL8777881 0.90 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29351443 0.87 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL7940135 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL3357626 0.83 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29558 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29875634 0.81 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL16494072 0.81 MGAT2 (0.50) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL25366135 0.78 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL3131072 0.78 ALDH1A1 (0.78) ALDH1A1MEN1KMT2AUSP2CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-6297270-B1 HERBICIDE; DYES INTERMEDIATE, AMINO ACIDS, PHOTOSENSITIVE AND/OR THERMOSENSITIVE MATERIAL; COSMETICS; ANTIOXIDANT; ANGIOTENSIN(II) ANTAGONIST; CALCIUM CHANNEL BLOCKER, ENZYME INHIBITOR; POLYMERIZATION CATALYST AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 2001-10-02 US disclosed
EP-1004579-A1 Process for the preparation of 2,3-Dihydroindoles (Indolines), certain 2,3-Dihydroindoles and their use Aventis Research & Technologies GmbH & Co KG (DE) 2000-05-31 EP disclosed