SCHEMBL7964564

SCHEMBL7964564

CN(C)c1ccc(NC(=O)C2=C(O)CCc3c2nc2ccccn32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.51
CASP1 P29466 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 4/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 5/20 0.44
LMNA P02545 4/20 0.44
NPC1 O15118 4/20 0.44
GAA P10253 3/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.43
KMT2A Q03164 2/20 0.42
NAMPT P43490 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL7415153 0.90 MAPT (0.44) USP2CASP1HSD17B10MAPTTP53
SCHEMBL7958034 0.89 MEN1 (0.44) USP2CASP1HSD17B10MAPTSMN1; SMN2
SCHEMBL7959855 0.88 LMNA (0.44) MAPTTP53SMN1; SMN2RAB9ALMNA
SCHEMBL7418952 0.88 RAB9A (0.44) SMN1; SMN2RAB9ALMNANPC1GAA
SCHEMBL7411535 0.86 SMN1; SMN2 (0.55) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL7416321 0.86 MAPT (0.47) MAPTSMN1; SMN2RAB9ALMNANPC1
SCHEMBL7961855 0.86 SMN1; SMN2 (0.55) HSD17B10MAPTTP53SMN1; SMN2RAB9A
SCHEMBL7960446 0.86 RAB9A (0.57) MAPTTP53SMN1; SMN2RAB9ALMNA
SCHEMBL7964551 0.85 HRH3 (0.42) USP2CASP1HSD17B10MAPTSMN1; SMN2
SCHEMBL7420722 0.85 MAPT (0.41) USP2CASP1HSD17B10MAPTTP53

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
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed