SCHEMBL30424935

SCHEMBL30424935

FC(F)(F)c1cccc(Cn2ccc(Br)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
TP53 P04637 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
IDO1 P14902 2/20 0.44
KDM4C Q9H3R0 1/20 0.44
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
POLB P06746 1/20 0.43
ACP3 P15309 1/20 0.42
ATM Q13315 2/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
MIF P14174 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL29630801 0.78 L3MBTL1 (0.50) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL29630587 0.78 KDM4E (0.47) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL25853646 0.75 MAPT (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL28852187 0.75 CYP2C19 (0.47) ALDH1A1KDM4EMAPTPOLBCA12
SCHEMBL3213041 0.74 MIF (0.49) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL24214370 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL30376503 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL1958148 0.73 KDM4C (0.50) ALDH1A1KDM4EGAAMAPTLMNA
SCHEMBL9747476 0.73 CYP11B1 (0.66) MAPTPOLB
SCHEMBL11027533 0.71 TAAR1 (0.58) ALDH1A1KDM4EGAAMAPTLMNA

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-113896673-B Amide derivatives as prostaglandin EP4 receptor antagonists and uses thereof 安润医药科技(苏州)有限公司 2023-05-05 CN disclosed