SCHEMBL6966852

SCHEMBL6966852

CNCCc1ccc(NC(=N)c2cccs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
TP53 P04637 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
TAAR1 Q96RJ0 4/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9038299 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53MEN1
Bromide SCHEMBL6967204 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9036770 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9039064 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9037824 0.85 ACKR3 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9038599 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9037372 0.85 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53MEN1
Hydrochloric Acid SCHEMBL9280168 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
Hydrochloric Acid SCHEMBL9221358 0.84 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
Bromide SCHEMBL6967194 0.84 ACKR3 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN claimed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP disclosed
CN-1071746-C Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 2001-09-26 CN disclosed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US disclosed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US disclosed
CN-1132505-A Amidine derivatives with nitric oxide synthetase activities ASTERA CO (SE) 1996-10-02 CN disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed