SCHEMBL7916064

SCHEMBL7916064

COc1ccc(C(=O)Nc2ccc(F)c(N)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.65
RAB9A P51151 10/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
TP53 P04637 6/20 0.65
ALOX15 P16050 1/20 0.65
ALDH1A1 P00352 4/20 0.62
KMT2A Q03164 3/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC4 P56524 2/20 0.60
HDAC7 Q8WUI4 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60

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
SCHEMBL30017278 0.89 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL21475214 0.89 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL13086314 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL11309004 0.84 NPC1 (0.76) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL14972591 0.84 MEN1 (0.66) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL11573279 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53ALOX15
Hydrochloric Acid SCHEMBL16539303 0.82 NPC1 (0.63) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL23657657 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2TP53ALOX15
SCHEMBL7300937 0.82 TRPV1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6814178 0.81 KCNQ3 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1178898-C Process for preparing N- (3-amino-4-fluorophenyl) sulfonamides, N- (3-amino-4-fluorophenyl) carboxamides and N- (3-amino-4-fluorophenyl) carbamates 2004-12-08 CN disclosed
US-6218565-B1 1-FLUORO-2,4-DIAMINO-BENZENE IS REACTED WITH SULPHONYL CHLORIDES, CARBONYL CHLORIDES OR CHLORORFORMIC ESTERS IN THE PRESENCE OF AN ACID ACCEPTOR AND IN THE PRESENCE OF A DILUENT BAYER AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
CN-1285816-A Method for producing N-(3-amino-4-fluorophenyl)-sulphonamides, N-(3-amino-4-fluorophenyl) carboxylic acid amides and N-(3-amino-4-fluorophenyl) carbamates BAYER AG (DE) 2001-02-28 CN disclosed