SCHEMBL5584092

SCHEMBL5584092

CCCCCc1c[nH]nc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.49
HSD11B1 P28845 1/20 0.41
SOAT1 P35610 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
DHFR P00374 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
CHEK1 O14757 1/20 0.38
CHUK O15111 1/20 0.38
PDPK1 O15530 1/20 0.38
DYRK3 O43781 1/20 0.38

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
SCHEMBL11624564 0.88 ALOX15 (0.41) GPR84ALOX15ALDH1A1MAPT
SCHEMBL2123501 0.84 PPARA (0.50) CYP1A2CYP2C9CYP2C19KMT2ACNR1
SCHEMBL11123121 0.81 ALOX15 (0.43) CYP1A2CYP2C9CYP2C19ALOX15ALDH1A1
SCHEMBL18095847 0.81 HRH4 (0.43) SOAT1
SCHEMBL28940885 0.80 RXRA (0.50) CYP2C19MAPK1ALDH1A1MAPT
SCHEMBL11679230 0.79 CCNB2 (0.44) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL2123894 0.79 CYP3A4 (0.48) CYP1A2CYP2C9CYP2C19KMT2ACNR1
SCHEMBL6089012 0.79 CYP1A2 (0.46) LIPGCYP1A2CYP2C9CYP2C19CDK1
SCHEMBL20449061 0.78 TAAR1 (0.41) CYP1A2ALOX15ALDH1A1MAPT
SCHEMBL5326052 0.78 TTK (0.48) CYP2C9PLK4AURKB

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
JP-2007517782-A 2007-07-05 JP claimed
EP-1694123-A1 TOPICAL FORMULATIONS COMPRISING A 1-N-ARYLPYRAZOLE DERIVATIVE AND A FORMAMIDINE Merial Ltd. (US) 2006-08-30 EP claimed
WO-2005058038-A1 TOPICAL FORMULATIONS COMPRISING A 1-N-ARYLPYRAZOLE DERIVATIVE AND A FORMAMIDINE MERIAL LIMITED (US) 2005-06-30 WO claimed