SCHEMBL10832502

SCHEMBL10832502

O=C1NCCN1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.49
▸ CA2 P00918 3/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA7 P43166 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ CA14 Q9ULX7 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CES1 P23141 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TSHR P16473 1/20 0.45

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
SCHEMBL8421386 0.81 CES1 (0.53) CA1CA2CA12CA7CA9
SCHEMBL7348630 0.81 L3MBTL1 (0.46) HPGDALDH1A1SMN1; SMN2MAPT
SCHEMBL11595193 0.78 CYP1A2 (0.49) —
SCHEMBL10008491 0.78 HPGD (0.56) CA1CA2CA12CA7CA9
SCHEMBL14934264 0.78 PARP1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10833177 0.78 ALDH1A1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL11386026 0.78 PKM (0.51) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL10832727 0.78 MAPT (0.50) CA1CA2CA12CA7CA9
SCHEMBL9037033 0.77 ALDH1A1 (0.58) KMT2AHPGDALDH1A1MAPT
SCHEMBL8440899 0.76 KMT2A (0.58) CA1CA2CA12CA7CA9

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
US-4581460-A ANALGESICS CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-04-08 — — US disclosed
EP-0083729-B1 SUBSTITUTED 1-BENZOYL-2-PHENYLIMINO-IMIDAZOLIDINES, THEIR ACID ADDITION SALTS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-02-26 — — EP disclosed
EP-0083729-A1 Substituted 1-benzoyl-2-phenylimino-imidazolidines, their acid addition salts, process for their preparation and pharmaceutical compositions containing them CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1983-07-20 — — EP disclosed
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