SCHEMBL3368145

SCHEMBL3368145

Fc1ccc(Oc2ccc(-c3ccn[nH]3)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 5/20 1.00
LTA4H P09960 5/20 0.72
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
NOTUM Q6P988 2/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.52
PTPN11 Q06124 1/20 0.52
PDPK1 O15530 1/20 0.50
IDO1 P14902 1/20 0.49
CYP4F2 P78329 2/20 0.48
CYP4A11 Q02928 2/20 0.48
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL104517 0.89 SCN4A (0.79) SCN4ALTA4HNPC1RAB9ANOTUM
SCHEMBL2300173 0.82 NPC1 (1.00) SCN4ALTA4HNPC1RAB9ANOTUM
SCHEMBL30903817 0.78 NPC1 (0.66) SCN4ALTA4HNPC1RAB9ANOTUM
SCHEMBL17279817 0.78 POLB (0.77) SCN4ALTA4HNPC1RAB9ANOTUM
SCHEMBL3370316 0.76 SCN4A (0.62) SCN4ALTA4HNPC1RAB9ACYP1A2
SCHEMBL14653806 0.76 LTA4H (0.62) SCN4ALTA4HNPC1RAB9ACYP1A2
SCHEMBL1186499 0.76 SCN4A (1.00) SCN4ALTA4HNPC1RAB9ANOTUM
SCHEMBL28205218 0.75 SCN4A (0.61) SCN4ALTA4HNPC1RAB9ANOTUM
SCHEMBL14653855 0.75 LTA4H (0.68) SCN4ALTA4HNPC1RAB9ACYP1A2
SCHEMBL14653751 0.75 CYP3A4 (0.61) SCN4ALTA4HNPC1RAB9ACYP1A2

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
EP-2266960-B1 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO CELTIQUE SA (LU) 2014-01-22 EP disclosed
EP-2266960-A2 Aryl-substituted pyrazoles, imidazoles, oxazoles, thiazoles and pyrroles as anticonvulsants EURO-CELTIQUE S.A. (LU) 2010-12-29 EP disclosed
EP-1173169-B1 ARYL SUBSTITUTED PYRAZOLES, IMIDAZOLES, OXAZOLES, THIAZOLES AND PYRROLES, AND THE USE THEREOF EURO CELTIQUE SA (LU) 2010-05-12 EP disclosed
US-6737418-B2 CENTRAL NERVOUS SYSTEM DISORDERS; ANTICONVULSANTS EURO-CELTIQUE S.A. (LU) 2004-05-18 US disclosed
US-6414011-B1 CENTRAL NERVOUS SYSTEM DISORDERS EURO-CELTIQUE S.A. (LU) 2002-07-02 US disclosed