SCHEMBL7964418

SCHEMBL7964418

COc1ccc(NC(=O)C2=C(O)CCc3c2nc2cc(OC)ccn32)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 6/20 0.41
CASP3 P42574 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
PLAU P00749 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
TP53 P04637 3/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL7415683 0.93 RAB9A (0.42) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL7960446 0.88 RAB9A (0.57) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL7420636 0.81 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL7420722 0.77 MAPT (0.41) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL7415629 0.77 TMPRSS4 (0.40) RAB9ANPC1MAPTPKM
SCHEMBL7959855 0.75 LMNA (0.44) RAB9ASMN1; SMN2MAPK1KMT2AGAA
SCHEMBL7418952 0.75 RAB9A (0.44) RAB9ASMN1; SMN2KMT2AGAANPC1
SCHEMBL7416321 0.74 MAPT (0.47) RAB9ASMN1; SMN2MAPK1KMT2AGAA
SCHEMBL7411535 0.74 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL7964564 0.73 USP2 (0.51) RAB9ASMN1; SMN2MAPK1KMT2AGAA

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