SCHEMBL27587741

SCHEMBL27587741

NC(=O)N(c1ccc([N+](=O)[O-])cc1O)c1ccccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.47
PPIA P62937 3/20 0.46
ITGA4 P13612 1/20 0.45
ITGB7 P26010 1/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
ALDH1A1 P00352 1/20 0.44
PPIF P30405 1/20 0.43
MAOB P27338 1/20 0.43
PTGES O14684 1/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42

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
SCHEMBL7489708 0.86 ALDH1A1 (0.41) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL27605673 0.84 MAPT (0.44) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL27587733 0.83 MAPT (0.48) MEN1KMT2AMAPTALDH1A1
SCHEMBL28752712 0.83 KMT2A (0.43) CYP19A1MEN1KMT2AMAPTALDH1A1
SCHEMBL7917222 0.81 MEN1 (0.44) CYP19A1MEN1KMT2AMAPTITGA4
SCHEMBL27587709 0.81 TDP1 (0.46) CYP19A1MEN1KMT2AMAPTITGA4
SCHEMBL27587742 0.81 PKM (0.44) CYP19A1MEN1KMT2AMAPTITGA4
SCHEMBL27587711 0.80 GPR35 (0.51) KMT2AMAPTALDH1A1
SCHEMBL27498935 0.80 CYP19A1 (0.43) CYP19A1MAPTPPIACYP11B1CYP11B2
SCHEMBL27605657 0.78 GPR35 (0.49) MEN1KMT2AMAPTALDH1A1

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
CN-1539816-A IL-8 receptor antagonists ʷ��˿�������ȳ�ķ���޹�˾ 2004-10-27 CN disclosed