SCHEMBL29630801

SCHEMBL29630801

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
KDM4C Q9H3R0 1/20 0.41
MIF P14174 1/20 0.41
IDO1 P14902 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
POLB P06746 1/20 0.40
HTR2A P28223 1/20 0.40

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
SCHEMBL29630587 0.86 KDM4E (0.47) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL29630713 0.81 NPC1 (0.55) L3MBTL1KDM4EALDH1A1CYP19A1CYP11B1
SCHEMBL30424935 0.78 ALDH1A1 (0.50) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL27862340 0.77 CA12 (0.44) ALDH1A1CYP19A1CYP11B1CYP11B2MAPT
SCHEMBL13692247 0.71 SMN1; SMN2 (0.54) CYP19A1CYP11B1CYP11B2LMNAIDO1
SCHEMBL3213041 0.70 MIF (0.49) KDM4EALDH1A1GAAGRIN2BMAPT
SCHEMBL1958148 0.70 KDM4C (0.50) KDM4EALDH1A1GAAGRIN1GRIN2B
SCHEMBL9747476 0.70 CYP11B1 (0.66) CYP19A1CYP11B1CYP11B2MAPTPOLB
SCHEMBL440276 0.69 KIF11 (0.50) L3MBTL1GRIN1GRIN2BRXFP1MRGPRX4
SCHEMBL29421430 0.69 KIF11 (0.50) L3MBTL1GRIN1GRIN2BRXFP1MRGPRX4

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