SCHEMBL6959986

SCHEMBL6959986

N=C(Nc1ccc(CCNC(=O)C(F)(F)F)cc1)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 1/20 0.48
TRPA1 O75762 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CNR1 P21554 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP3 P42574 1/20 0.41
CASP2 P42575 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
POLB P06746 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL8150881 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6958477 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL9038704 0.82 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6957502 0.81 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPTMEN1
Iodide SCHEMBL6962649 0.81 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6969347 0.81 KDM4E (0.58) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4627573 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4404248 0.80 NPC1 (0.52) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL6966852 0.79 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MAPTMEN1
Hydrochloric Acid SCHEMBL5401422 0.79 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 11 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
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP disclosed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO disclosed