SCHEMBL16634740

SCHEMBL16634740

O=C(c1c(Cl)cccc1Cl)n1c(=O)n(-c2ccc(P(=O)(O)O)cc2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 10/20 0.37
MAPT P10636 2/20 0.34
PTK2B Q14289 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C9 P11712 5/20 0.33
CYP3A4 P08684 4/20 0.33
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 2/20 0.33
RARG P13631 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
POLB P06746 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL16634554 0.82 RORC (0.55) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL16634830 0.81 RORC (0.43) RORCNPC1GLAHPGDCYP2C9
SCHEMBL16634709 0.81 TAS1R3 (0.44) RORCNPC1GLAHPGDCYP2C9
SCHEMBL16634644 0.78 RORC (0.40) RORCNPC1GLAHPGDCYP2C9
SCHEMBL16634643 0.78 RORC (0.40) RORCNPC1GLAHPGDCYP2C9
SCHEMBL16634721 0.78 RAB9A (0.45) RORCMAPTNPC1SMN1; SMN2POLB
SCHEMBL16634666 0.77 MYC (0.48) RORCCYP2C9CYP3A4CYP1A2CYP2C19
SCHEMBL16634665 0.74 ALDH1A1 (0.40) MAPTKDM4ESMN1; SMN2ALDH1A1TSHR
SCHEMBL16634699 0.74 ADH5 (0.39) RORCRARGALDH1A1
SCHEMBL16634636 0.73 RORC (0.56) RORCCYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO claimed
WO-2015052675-A1 SUBSTITUTED DIHYDRO-BENZIMIDAZOLE COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2015-04-16 WO disclosed