SCHEMBL6413137

SCHEMBL6413137

COc1cc(CNC(C)Cc2ccc([N+](=O)[O-])cc2)cc(N(C)C)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25C P30307 3/20 0.62
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ RECQL P46063 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ APEX1 P27695 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL1917318 0.77 CDC25C (1.00) CDC25CMEN1KMT2ARECQLTHRB
SCHEMBL2451270 0.72 SIGMAR1 (0.68) MEN1KMT2ARECQLCYP2D6CYP2C9
SCHEMBL2797012 0.72 SIGMAR1 (0.68) MEN1KMT2ARECQLCYP2D6CYP2C9
SCHEMBL2794528 0.72 SIGMAR1 (0.68) MEN1KMT2ARECQLCYP2D6CYP2C9
SCHEMBL1917474 0.69 CDC25C (1.00) CDC25CMEN1KMT2ARECQLTHRB
SCHEMBL31443250 0.67 SLC6A4 (0.55) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL4856667 0.67 CYP2D6 (0.51) MEN1KMT2ARECQLTHRBCYP2D6
Hydrochloric Acid SCHEMBL11431779 0.67 MAPT (0.51) MEN1KMT2ASMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL11431784 0.67 MAPT (0.51) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL9800427 0.66 GAA (0.73) KMT2APOLBMAPTALDH1A1RAB9A

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-1602368-A2 Cdc25 phosphatase inhibitors Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2005-12-07 — — EP disclosed
EP-1370255-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-12-17 — — EP disclosed
WO-2002009686-A2 CDC25 PHOSPHATASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUE (S.C.R.A.S.) (FR) 2002-02-07 — — WO disclosed
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