SCHEMBL9036770

SCHEMBL9036770

CC(C)(C)NCCc1ccc(NC(=N)c2cccs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.41
RAB9A P51151 9/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
TP53 P04637 3/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
Hydrochloric Acid SCHEMBL9221358 0.99 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
Bromide SCHEMBL6968089 0.99 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9038841 0.86 SMN1; SMN2 (0.41) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL9038299 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53MEN1
Bromide SCHEMBL6961612 0.85 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL6966852 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53MEN1
Bromide SCHEMBL6967204 0.85 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9038599 0.82 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9039064 0.82 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53MEN1
SCHEMBL9037372 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2TP53MEN1

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 4 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