SCHEMBL6136813

SCHEMBL6136813

CC(C)(C)c1cc(NC(=O)[C@H]2C[C@H](Oc3ccc([N+](=O)[O-])cc3)CN2C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 14/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NR1H4 Q96RI1 1/20 0.38
▸ BCL2 P10415 3/20 0.37
▸ BCL2L1 Q07817 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL6136812 1.00 MCL1 (0.41) MCL1MEN1GALR3HTTKMT2A
SCHEMBL4326643 0.91 MCL1 (0.49) MCL1BCL2BCL2L1
SCHEMBL4326640 0.91 MCL1 (0.49) MCL1BCL2BCL2L1
SCHEMBL6136535 0.88 ALDH1A1 (0.38) MCL1MEN1KMT2ANR1H4ALDH1A1
SCHEMBL6136539 0.88 ALDH1A1 (0.38) MCL1MEN1KMT2ANR1H4ALDH1A1
SCHEMBL4318171 0.78 MCL1 (0.43) MCL1
SCHEMBL4797124 0.78 MCL1 (0.43) MCL1
SCHEMBL4317053 0.77 MMP2 (0.52) MCL1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4317049 0.77 MMP2 (0.52) MCL1KMT2ASMN1; SMN2ALDH1A1TDP1
SCHEMBL4795920 0.77 MMP2 (0.52) MCL1KMT2ASMN1; SMN2ALDH1A1TDP1

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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