SCHEMBL31037306

SCHEMBL31037306

O=C(NCCN1CCCCC1)c1ccc(C#Cc2cc([N+](=O)[O-])ccc2C(=O)Nc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 3/20 0.46
▸ POLB P06746 3/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ EPHX2 P34913 3/20 0.44
▸ MAPT P10636 2/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43

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 0.86 ATR (0.52) ATRPOLBKMT2AMEN1ALDH1A1
SCHEMBL31037250 0.82 KDR (0.46) ATRPOLBKMT2AMEN1L3MBTL1
SCHEMBL31037320 0.79 MAPT (0.47) POLBL3MBTL1LMNAALDH1A1MAPT
SCHEMBL3642214 0.78 CYP1A2 (0.65) POLBKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL31037344 0.77 NAMPT (0.50) ATRPOLBKMT2AMEN1EPHX2
SCHEMBL31037354 0.75 ALDH1A1 (0.42) POLBL3MBTL1LMNAALDH1A1CYP1A2
SCHEMBL31037465 0.73 POLB (0.38) POLBL3MBTL1ALDH1A1DRD2DRD4
SCHEMBL16151552 0.71 DRD2 (0.61) GAASMN1; SMN2L3MBTL1LMNAALDH1A1
SCHEMBL14454759 0.71 HPGD (0.66) ATRPOLBKMT2AMEN1ALDH1A1
SCHEMBL26758003 0.71 LMNA (0.60) POLBKMT2AMEN1SMN1; SMN2LMNA

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
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