SCHEMBL4792507

SCHEMBL4792507

OCc1nn(-c2ccc(C(F)(F)F)cc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SCN9A Q15858 5/20 0.44
TEAD1 P28347 1/20 0.44
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
TEAD3 Q99594 1/20 0.44
RARG P13631 1/20 0.43
RORC P51449 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP11B2 P19099 2/20 0.41
PDE5A O76074 1/20 0.41
NOTUM Q6P988 1/20 0.40
CCR1 P32246 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 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
SCHEMBL4790834 0.86 MAPT (0.47) MAPTRAB9ACTDSP1L3MBTL1SCN9A
Hydrochloric Acid SCHEMBL25232758 0.86 MAPT (0.47) MAPTRAB9ACTDSP1L3MBTL1SCN9A
SCHEMBL27834343 0.83 PDE5A (0.55) MAPTL3MBTL1SCN9ATEAD1TEAD4
SCHEMBL4793532 0.82 SCN9A (0.57) SCN9AKDM4ENPSR1CYP1A2CYP11B2
SCHEMBL4792952 0.82 TEAD1 (0.63) L3MBTL1SCN9ATEAD1TEAD4TEAD2
SCHEMBL4795769 0.81 EGLN2 (0.41) SCN9ACYP1A2NOTUMCCR1CYP2C9
SCHEMBL4792972 0.81 SCN9A (0.42) SCN9ACYP1A2NOTUMCCR1CYP2C9
SCHEMBL4794087 0.81 SCN9A (0.42) SCN9ATEAD1TEAD4TEAD2TEAD3
SCHEMBL25278823 0.81 CCR1 (0.48) MAPTRAB9ACTDSP1L3MBTL1SCN9A
SCHEMBL4792118 0.81 RORC (0.51) RAB9ATEAD1TEAD4TEAD2TEAD3

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
EP-1937647-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II Inpharmatica Limited (GB) 2008-07-02 EP disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036727-A1 CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II INPHARMATICA LIMITED (GB) 2007-04-05 WO disclosed