SCHEMBL9872038

SCHEMBL9872038

O=C1CC(c2ccc(Cl)cc2)=Nc2cccc(C(F)(F)F)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.36
TP53 P04637 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
DHODH Q02127 1/20 0.34
CYP3A4 P08684 2/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 1/20 0.34
GCGR P47871 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
P2RX7 Q99572 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
SCHEMBL9872637 0.88 MAPT (0.40) TP53PDE3BPDE3ARXFP1CYP3A4
SCHEMBL9872061 0.87 RAB9A (0.45) RXFP1CYP3A4GRM2GRM3KDM4E
SCHEMBL9875005 0.84 MAPT (0.42) TP53KDM4ENPC1MAPTRAB9A
SCHEMBL9872580 0.83 MAPT (0.43) CYP3A4KDM4EMAPTMEN1KMT2A
SCHEMBL9874835 0.81 TP53 (0.43) TP53PDE3BPDE3ACYP3A4GRM2
SCHEMBL9872713 0.79 CYP3A4 (0.41) CYP3A4GRM2GRM3
SCHEMBL9874871 0.76 PDE3B (0.37) NOTUMPDE3BPDE3A
SCHEMBL9873453 0.73 P2RX7 (0.35) TP53PDE3BPDE3ARXFP1MAPT
SCHEMBL2446099 0.67 GAA (0.39) GCGRKDM4EMAPTNR1H2NR1H3
SCHEMBL28567996 0.67 RXFP1 (0.65) NOTUMTP53RXFP1DHODHKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017576-A Antianxiolytic, hypnotic, anticonvulsant, antiepileptic RHONE-POULENC SANTE (FR) 1991-05-21 US disclosed