SCHEMBL7865726

SCHEMBL7865726

CSc1cccc(NC(C)=N)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 2/20 0.60
TP53 P04637 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 3/20 0.55
GAA P10253 1/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
NPC1 O15118 2/20 0.51
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.51
GRM4 Q14833 1/20 0.51

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
SCHEMBL6716900 0.87 MAPT (0.62) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6138093 0.84 MAPT (0.58) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL27699157 0.84 MAPT (0.63) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL7865767 0.82 POLB (0.47) MAPTMEN1KMT2APOLBTP53
SCHEMBL5208634 0.81 MAPT (0.70) MAPTMEN1KMT2ASMN1; SMN2POLB
Acetic Acid SCHEMBL27563712 0.80 MEN1 (0.63) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL6724512 0.78 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL17084253 0.78 MEN1 (0.87) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL4888533 0.78 MAPT (0.75) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL28883207 0.78 MAPT (0.66) MAPTMEN1KMT2ASMN1; SMN2POLB

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
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed