SCHEMBL9959873

SCHEMBL9959873

CSc1ccc2c(c1)cc(C)n2Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
CCR2 P41597 5/20 0.43
TBXA2R P21731 1/20 0.42
RAB9A P51151 2/20 0.41
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS2 P35354 3/20 0.40
TYMS P04818 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL6086333 0.86 CCR2 (0.55) CCR2RAB9AGALR3NR2F2HDAC1
SCHEMBL6084959 0.83 MEN1 (0.49) CCR2RAB9AGALR3NR2F2HDAC1
SCHEMBL9959670 0.81 HDAC1 (0.45) CCR2TBXA2RRAB9AGALR3NR2F2
SCHEMBL9958735 0.81 KDM4E (0.50) CCR2RAB9AGALR3NR2F2HDAC1
SCHEMBL9958540 0.81 BRD4 (0.48) CCR2RAB9AGALR3NR2F2HDAC1
SCHEMBL9959205 0.81 MEN1 (0.56) CCR2RAB9AGALR3NR2F2HDAC1
SCHEMBL6823866 0.80 CCR2 (0.52) CCR2RAB9AGALR3NR2F2HDAC1
SCHEMBL6086266 0.78 HDAC1 (0.62) CCR2RAB9AGALR3NR2F2HDAC1
SCHEMBL6085520 0.78 CCR2 (0.56) CCR2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL9958509 0.78 CCR2 (0.44) CCR2RAB9AGALR3NR2F2HDAC1

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
WO-2012088431-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 WO disclosed