SCHEMBL6901453

SCHEMBL6901453

CCC(Cl)C(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
ALDH1A1 P00352 5/20 0.61
GAA P10253 2/20 0.61
ATM Q13315 2/20 0.61
LMNA P02545 2/20 0.61
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
HSP90AA1 P07900 2/20 0.57
GPR55 Q9Y2T6 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
POLB P06746 1/20 0.52
RXFP1 Q9HBX9 1/20 0.51
KLK7 P49862 2/20 0.51
MAPK1 P28482 1/20 0.51
CRHBP P24387 2/20 0.50
CRHR2 Q13324 2/20 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
SCHEMBL8769265 0.86 MAPT (0.57) MAPTALDH1A1GAAATMLMNA
SCHEMBL16345946 0.83 CYP1A2 (0.55) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL8570404 0.83 MAPT (0.58) MAPTALDH1A1GAAATMLMNA
SCHEMBL6545546 0.83 ALDH1A1 (0.61) MAPTALDH1A1GAAATMLMNA
SCHEMBL5417260 0.82 MEN1 (0.51) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL10629250 0.82 ALDH1A1 (0.56) MAPTALDH1A1GAAATMLMNA
SCHEMBL4557327 0.82 MAPT (0.53) MAPTALDH1A1GAAATMLMNA
SCHEMBL15228212 0.81 MAPT (0.56) MAPTALDH1A1GAAATMLMNA
SCHEMBL14853295 0.81 MEN1 (0.64) MAPTALDH1A1GAAATMLMNA
SCHEMBL4681925 0.81 MEN1 (0.86) MAPTALDH1A1GAALMNAMEN1

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-1024691-A4 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC (US) 2004-08-18 EP disclosed
EP-1024691-A1 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC. (US) 2000-08-09 EP disclosed
WO-1998033378-A1 SOLUBLE POLYMER BASED MATRIX FOR CHEMICALLY ACTIVE WATER INSOLUBLE COMPONENTS ISP INVESTMENTS INC. (US) 1998-08-06 WO disclosed
CN-1005376-B Herbicides containing 5- (2-chloro-4-trifluoromethylphenoxy) -2-nitro-alpha-substituted acetophenone and/or oxime derivative as active ingredient and method for eliminating undesirable weeds 旭化成工业株式会社 1989-10-11 CN disclosed
US-4102924-A REACTING ACYLAMINO-ARYLS WITH HALO-ARYLS BAYER AKTIENGESELLSCHAFT (DE) 1978-07-25 US disclosed