SCHEMBL30876217

SCHEMBL30876217

N#Cc1cccc(C(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.44
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.42
GSK3B P49841 1/20 0.42
S1PR1 P21453 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TNF P01375 1/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 2/20 0.39
CNR1 P21554 2/20 0.39
ADRA2B P18089 1/20 0.39
GRM4 Q14833 1/20 0.38
CREBBP Q92793 1/20 0.38
TACR1 P25103 1/20 0.38
CNR2 P34972 1/20 0.38
MRGPRX1 Q96LB2 1/20 0.38
ADRA1B P35368 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
SCHEMBL2514465 1.00 ENPP2 (0.44) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL28831875 0.88 GLA (0.44) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL28319373 0.83 ENPP2 (0.41) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL104898 0.83 GLA (0.46) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL4083138 0.82 ENPP2 (0.47) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL23056923 0.79 GLA (0.44) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL1719895 0.79 GLA (0.44) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL6706801 0.79 S1PR1 (0.46) ENPP2GLAS1PR1ADRA1DADRA1A
SCHEMBL22435570 0.79 GLA (0.44) ENPP2TSHRGLAGSK3BS1PR1
SCHEMBL320196 0.79 ENPP2 (0.46) ENPP2GLAGSK3BS1PR1TNF

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
CN-118005606-A TEAD inhibitors 武汉人福创新药物研发中心有限公司 2024-05-10 CN disclosed