SCHEMBL31531374

SCHEMBL31531374

Cc1cc(F)c(C#N)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.43
KDM4E B2RXH2 3/20 0.36
LMNA P02545 3/20 0.34
PDE9A O76083 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
DHODH Q02127 1/20 0.32
HPGD P15428 1/20 0.31
PPARG P37231 1/20 0.31
NCOA2 Q15596 1/20 0.31
NCOA1 Q15788 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
TSHR P16473 1/20 0.31
XBP1 P17861 1/20 0.30

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
SCHEMBL16681130 1.00 TRPV4 (0.43) TRPV4KDM4ELMNAPDE9ACYP1A2
SCHEMBL80375 0.84 TRPV4 (0.58) TRPV4KDM4ELMNAPDE9ADHODH
SCHEMBL10914092 0.78 KDM4E (0.39) KDM4ELMNAHPGDALDH1A1HSD17B10
SCHEMBL425826 0.78 TRPV4 (0.46) TRPV4CYP3A4TSHRMEN1TTR
SCHEMBL16680760 0.78 TRPV4 (0.46) TRPV4KDM4ECYP1A2CYP3A4CYP2C19
SCHEMBL14473069 0.78 TRPV4 (0.46) TRPV4KDM4ELMNACYP1A2CYP3A4
SCHEMBL24616521 0.75 KDM4E (0.37) KDM4ELMNACYP3A4HPGDPPARG
SCHEMBL16545828 0.75 TRPV4 (0.43) TRPV4KDM4ELMNAPDE9ADHODH
SCHEMBL14601371 0.75 SELL (0.46) TRPV4KDM4EPDE9ADHODHALDH1A1
SCHEMBL21563310 0.75 TRPV4 (0.43) TRPV4KDM4ELMNAPDE9ACYP3A4

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-119638639-A Biaryl compound with anti-cell necrotic apoptosis activity, derivative and application thereof 中国药科大学 2025-03-18 CN disclosed