SCHEMBL7326712

SCHEMBL7326712

O=C1c2ccccc2C(O)N1c1ccc2ccc(F)nc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 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
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 3/20 0.41
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
IDO1 P14902 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 2/20 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
SCHEMBL7329335 0.85 RAB9A (0.63) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7336261 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10472768 0.85 ALDH1A1 (0.37) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL12685604 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7326994 0.85 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10472673 0.82 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL7326339 0.81 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL10473565 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL11707726 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2PKMTP53
SCHEMBL6412620 0.75 NPC1 (0.33) 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 3 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-4016274-A TRANQUILIZERS AND ANTICONVULSANT AGENTS RHONE-POULENC S.A. (FR) 1977-04-05 US disclosed