SCHEMBL16200262

SCHEMBL16200262

COCc1nn(C)c(C(F)(F)F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CACNA1H O95180 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
SCHEMBL14044199 0.82 GABRB3 (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL14039851 0.80 CYP2C9 (0.38) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL17468326 0.77 RAB9A (0.40)
SCHEMBL14039840 0.76 MEN1 (0.31) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL13683111 0.76 OPRL1 (0.34) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL14201637 0.73 KMT2A (0.36) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL14039838 0.71
SCHEMBL13693058 0.70 ADORA2A (0.39) MEN1CYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL13066536 0.70 KDM4E (0.38) NOTUMMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL16200400 0.69 KDM4E (0.36) NOTUMMEN1CYP1A2CYP2C9CYP2C19

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
EP-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed