SCHEMBL10912028

SCHEMBL10912028

CCCNCC(O)COc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])C2=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.39
▸ TOP2A P11388 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ ABCB1 P08183 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADRB2 P07550 3/20 0.37
▸ ADRB1 P08588 3/20 0.37
▸ ADRB3 P13945 2/20 0.37
▸ RPS6KA2 Q15349 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
SCHEMBL10911546 0.94 POLB (0.41) ATMTOP2APOLBABCB1CA12
SCHEMBL10913825 0.87 ADRB2 (0.47) ADRB2ADRB1ADRB3
SCHEMBL10911697 0.86 MEN1 (0.45) POLBCA2KMT2AADRB2ADRB1
SCHEMBL10912136 0.85 KMT2A (0.39) ATMTOP2AABCB1CA12CA1
SCHEMBL10912298 0.85 ADRB1 (0.43) CA12CA1CA2CA9RAB9A
SCHEMBL10912915 0.85 RPS6KA2 (0.47) POLBRAB9AKMT2ARPS6KA2
SCHEMBL10912665 0.85 KDM4E (0.45) ATMTOP2AABCB1KMT2AADRB2
SCHEMBL10716763 0.81 ABCB1 (0.41) TOP2AABCB1RAB9AKMT2AADRB2
SCHEMBL10909998 0.81 ADRB2 (0.46) POLBADRB2ADRB1ADRB3
SCHEMBL10911968 0.80 MEN1 (0.44) POLBCA2KMT2AADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171977-A1 Phthalimide derivatives, compositions containing them and a process for preparing them SANKYO COMPANY LIMITED (JP) 1986-02-19 — — EP disclosed
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