SCHEMBL30516658

SCHEMBL30516658

COc1cc(F)cc(-c2ccc(CO)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.41
▸ FGFR1 P11362 1/20 0.40
▸ FGFR2 P21802 1/20 0.40
▸ ABCB1 P08183 3/20 0.40
▸ ABCC1 P33527 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PI4KA P42356 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ BCR P11274 1/20 0.39
▸ SYK P43405 2/20 0.38
▸ PGR P06401 2/20 0.38
▸ LRRK2 Q5S007 1/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ GRK6 P43250 1/20 0.37

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
SCHEMBL25367489 1.00 KDM1A (0.41) KDM1AFGFR1FGFR2ABCB1ABCC1
SCHEMBL30103004 0.81 KDM1A (0.41) KDM1AFGFR1FGFR2ABCB1ABCC1
SCHEMBL24785334 0.81 KDM1A (0.41) KDM1AFGFR1FGFR2ABCB1ABCC1
SCHEMBL24785377 0.80 KDM1A (0.47) KDM1AFGFR1FGFR2PGRLRRK2
SCHEMBL30103132 0.80 KDM1A (0.47) KDM1AFGFR1FGFR2PGRLRRK2
SCHEMBL10165325 0.79 KDM1A (0.45) KDM1AFGFR1FGFR2ABCB1ABCC1
SCHEMBL26784179 0.77 ABL1 (0.49) ABCB1ABL1BCRPGRBACE1
SCHEMBL24784615 0.75 GRM5 (0.46) KDM1APIK3CAPI4KAPI4KBS1PR1
SCHEMBL22920103 0.74 PIK3CA (0.45) PIK3CAPI4KAPI4KBS1PR1TLR9
SCHEMBL24784608 0.74 KDM1A (0.40) KDM1AFGFR1FGFR2PGRLRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119013017-A Pharmaceutical composition for treating cancer comprising an anticancer agent and a novel compound having an inhibitory activity on prostaglandin E2 receptor 治纳辅医药科技有限公司 2024-11-22 — — CN disclosed
WO-2023158221-A1 PHARMACEUTICAL COMPOSITION FOR TREATING CANCER, COMPRISING ANTICANCER AGENT AND NOVEL COMPOUND HAVING INHIBITORY ACTIVITY WITH RESPECT TO PROSTAGLANDIN E2 RECEPTORS 주식회사 카나프테라퓨틱스 2023-08-24 — — WO disclosed
CN-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 — — CN disclosed
Send feedback