SCHEMBL31037354

SCHEMBL31037354

CC(C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1C#Cc1ccc(C(=O)NCCN2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ HRH3 Q9Y5N1 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ BMPR1B O00238 1/20 0.40
▸ BMPR1A P36894 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ ACVRL1 P37023 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ACACB O00763 2/20 0.39
▸ SLC5A7 Q9GZV3 1/20 0.39
▸ POLB P06746 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL31037334 0.88 BMPR1B (0.46) ALDH1A1HRH3GLAL3MBTL1BMPR1B
SCHEMBL31037338 0.81 HRH3 (0.41) ALDH1A1HRH3GLAL3MBTL1BMPR1B
SCHEMBL31037495 0.77 NAMPT (0.43) ALDH1A1BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31037304 0.76 ALDH1A1 (0.43) ALDH1A1GLAL3MBTL1NPSR1CYP1A2
SCHEMBL31037320 0.75 MAPT (0.47) ALDH1A1GLAL3MBTL1NPSR1CYP1A2
SCHEMBL31037306 0.75 ATR (0.46) ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL31037465 0.72 POLB (0.38) ALDH1A1L3MBTL1POLB
SCHEMBL3642214 0.68 CYP1A2 (0.65) ALDH1A1GLAL3MBTL1NPSR1CYP1A2
SCHEMBL5485425 0.67 POLB (0.65) ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL22837224 0.66 CD274 (0.62) ALDH1A1HRH3GLAL3MBTL1NPSR1

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