SCHEMBL31037250

SCHEMBL31037250

O=C(Nc1ccc(C(=O)Nc2ccccc2)c(C#Cc2ccc(C(=O)NCCN3CCCCC3)cc2)c1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ EPHX2 P34913 3/20 0.45
▸ MCHR1 Q99705 7/20 0.45
▸ MCHR2 Q969V1 2/20 0.45
▸ ATR Q13535 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ GLA P06280 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KIT P10721 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ NAMPT P43490 2/20 0.42

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
SCHEMBL31037316 0.85 ATR (0.52) EPHX2ATRPOLBMEN1KMT2A
SCHEMBL31037307 0.84 NAMPT (0.47) KDRFLT3EPHX2MCHR1MCHR2
SCHEMBL31037306 0.82 ATR (0.46) EPHX2ATRPOLBMEN1KMT2A
SCHEMBL31037338 0.80 HRH3 (0.41) KDRFLT3MCHR1MCHR2POLB
SCHEMBL31037344 0.80 NAMPT (0.50) EPHX2ATRPOLBMEN1KMT2A
SCHEMBL31744282 0.77 CD274 (0.41) KDRFLT3MCHR1GLAL3MBTL1
SCHEMBL3642214 0.76 CYP1A2 (0.65) POLBMEN1KMT2AGLAL3MBTL1
SCHEMBL31744280 0.73 MAPK14 (0.46) KDRFLT3MCHR1MCHR2DRD2
SCHEMBL7255752 0.72 MCHR1 (0.79) EPHX2MCHR1MCHR2POLBMEN1
SCHEMBL14454759 0.71 HPGD (0.66) EPHX2MCHR1ATRPOLBMEN1

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
EP-4663628-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Samjin Pharmaceutical Co., Ltd. (KR) 2025-12-17 — — EP disclosed
WO-2024166024-A1 NEW COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 삼진제약주식회사 2024-08-15 — — WO disclosed
Send feedback