SCHEMBL29630587

SCHEMBL29630587

C#Cc1ccn(Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
KDM4C Q9H3R0 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ACP3 P15309 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MIF P14174 2/20 0.41
IDO1 P14902 2/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ATM Q13315 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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 0.86 L3MBTL1 (0.50) KDM4EALDH1A1GAAKDM4CMAPT
SCHEMBL30424935 0.78 ALDH1A1 (0.50) KDM4EALDH1A1GAAKDM4CMAPT
SCHEMBL3208460 0.72 TAAR1 (0.55) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL3213041 0.70 MIF (0.49) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL1958148 0.70 KDM4C (0.50) KDM4EALDH1A1GAAKDM4CMAPT
SCHEMBL9747476 0.70 CYP11B1 (0.66) MAPTPOLB
SCHEMBL933875 0.69 PTPN1 (0.61) ALDH1A1ACP3TAAR1MIFIDO1
SCHEMBL29890941 0.69 PTPN1 (0.61) ALDH1A1ACP3TAAR1MIFIDO1
SCHEMBL7193539 0.69 PTPN1 (0.49) KDM4EALDH1A1GAAKDM4CMAPT
SCHEMBL15707369 0.68 KDM4C (0.56) KDM4EALDH1A1GAAKDM4CMAPT

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 2 patents. 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
WO-2022111222-A1 AMIDE DERIVATIVE SERVING AS PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST, AND USE THEREOF 安润医药科技(苏州)有限公司 2022-06-02 WO disclosed