SCHEMBL6136623

SCHEMBL6136623

O=C(O)[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])cc2)CN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MCL1 Q07820 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SRD5A2 P31213 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ ANPEP P15144 1/20 0.38
▸ PKM P14618 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
SCHEMBL6136497 1.00 EPHX2 (0.42) EPHX2KDM4EKMT2ATDP1MCL1
SCHEMBL6136501 1.00 EPHX2 (0.42) EPHX2KDM4EKMT2ATDP1MCL1
SCHEMBL4317053 0.88 MMP2 (0.52) EPHX2KDM4EKMT2ATDP1MCL1
SCHEMBL4317049 0.88 MMP2 (0.52) EPHX2KDM4EKMT2ATDP1MCL1
SCHEMBL4795920 0.88 MMP2 (0.52) EPHX2KDM4EKMT2ATDP1MCL1
SCHEMBL6847018 0.85 MCL1 (0.53) MCL1ALDH1A1
SCHEMBL4313540 0.85 MCL1 (0.53) MCL1ALDH1A1
SCHEMBL7975833 0.85 MCL1 (0.53) MCL1ALDH1A1
SCHEMBL4313544 0.85 MCL1 (0.53) MCL1ALDH1A1
SCHEMBL6847022 0.85 MCL1 (0.53) MCL1ALDH1A1

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
EP-0991654-B1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOD CONSEILS RECH APPLIC (FR) 2005-06-15 — — EP disclosed
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 — — EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 — — WO disclosed
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