SCHEMBL7326339

SCHEMBL7326339

COc1ccc2ccc(N3C(=O)c4ccccc4C3O)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
PKM P14618 3/20 0.53
TP53 P04637 2/20 0.53
STAT3 P40763 1/20 0.53
STAT1 P42224 1/20 0.53
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7336261 0.84 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7329335 0.84 RAB9A (0.63) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10466456 0.82 RAB9A (0.38) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10472673 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL12685604 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7326994 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7326712 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10473565 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10467723 0.80 RAB9A (0.37) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10468354 0.79 MEN1 (0.39) RAB9ANPC1SMN1; SMN2PKMTP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5102890-A Anxiolytic agents RHONE-POULENC SANTE (FR) 1992-04-07 US disclosed
US-4960779-A Pyrrole derivatives, and pharmaceutical compositions which contain them and pharmacological methods of use RHONE-POULENC SANTE (FR) 1990-10-02 US disclosed
US-4898871-A Pyrrole derivatives and pharmaceutical compositions which contain them as hypnotics and anticonvulsants RHONE-POULENC SANTE (FR) 1990-02-06 US disclosed
US-4038391-A TRANQUILIZERS, ANTICONVULSANTS RHONE-POULENC S.A. (FR) 1977-07-26 US disclosed
US-4016274-A TRANQUILIZERS AND ANTICONVULSANT AGENTS RHONE-POULENC S.A. (FR) 1977-04-05 US disclosed