SCHEMBL7429470

SCHEMBL7429470

NCc1cccc(C(=O)c2cccc(NCC(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
AKR1C3 P42330 1/20 0.49
CFD P00746 3/20 0.47
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
CA12 O43570 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
RAB9A P51151 1/20 0.43
BLM P54132 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL7427800 0.90 LOXL2 (0.49) LOXL2CFDCA1CA2L3MBTL1
SCHEMBL6370932 0.88 CFD (0.53) LOXL2AKR1C3CFDCA1CA2
SCHEMBL27594322 0.81 LOXL2 (0.65) LOXL2CFDL3MBTL1
SCHEMBL2900640 0.80 ATM (0.63) LOXL2CFDCA1CA2L3MBTL1
SCHEMBL11277128 0.79 AKR1C3 (0.57) AKR1C3
SCHEMBL10586175 0.78 AKR1C3 (0.75) AKR1C3L3MBTL1RAB9A
SCHEMBL4629361 0.76 ITGB3 (0.64) LOXL2AKR1C3BLM
SCHEMBL340537 0.76 AKR1C3 (0.55) AKR1C3CA1CA2CA12CA4
SCHEMBL7438758 0.76 BRD4 (0.44) AKR1C3HDAC8HDAC6
SCHEMBL7786090 0.75 TP53 (0.55) L3MBTL1BLM

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-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed