SCHEMBL28208474

SCHEMBL28208474

Cc1c(C#N)ccc(F)c1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.43
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
TRPV4 Q9HBA0 1/20 0.39
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
LRRK2 Q5S007 1/20 0.36
TSHR P16473 1/20 0.35
UPP1 Q16831 1/20 0.34

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
SCHEMBL31673035 0.83 ESR1 (0.41) ARESR1ESR2TRPV4CYP11B1
SCHEMBL14920227 0.80 TRPV4 (0.43) ARESR1ESR2TRPV4CYP11B1
SCHEMBL2693449 0.80 AR (0.47) ARESR1ESR2TRPV4CYP11B1
SCHEMBL2148663 0.78 TSHR (0.43) ARESR1ESR2TSHRUPP1
SCHEMBL6364089 0.78 TRPV4 (0.42) ARESR1ESR2TRPV4CYP11B1
SCHEMBL16122042 0.77 TRPV4 (0.41) ARESR1ESR2TRPV4CYP11B1
SCHEMBL24495511 0.75 AR (0.45) ARESR1ESR2TRPV4CYP11B1
SCHEMBL31156144 0.75 AR (0.40) ARESR1ESR2TRPV4CYP11B1
SCHEMBL27709086 0.75 AR (0.40) ARTSHRUPP1
SCHEMBL3426156 0.75 AR (0.41) ARTRPV4TSHR

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-107922396-A Colony stimulating factor-1 receptor (CSF-1R) inhibitors 建新公司 2018-04-17 CN disclosed