SCHEMBL27587709

SCHEMBL27587709

NC(=O)N(c1ccc([N+](=O)[O-])cc1O)c1ccccc1COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
MAOB P27338 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP19A1 P11511 1/20 0.40
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38

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
SCHEMBL27587704 0.84 GPR35 (0.42) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL27587736 0.84 TP53 (0.42) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL7917222 0.84 MEN1 (0.44) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL27587742 0.83 PKM (0.44) MEN1KMT2AMAPTCRHBPCRHR2
SCHEMBL27605673 0.81 MAPT (0.44) TDP1MEN1KMT2AMAPTCRHBP
SCHEMBL27587741 0.81 CYP19A1 (0.51) MAOBMEN1KMT2AMAPTCYP19A1
SCHEMBL27587711 0.80 GPR35 (0.51) TDP1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL27605650 0.79 MEN1 (0.36) TDP1MEN1KMT2AMAPTITGA4
SCHEMBL28752712 0.79 KMT2A (0.43) TDP1MEN1KMT2AMAPTCYP19A1
SCHEMBL27605657 0.78 GPR35 (0.49) TDP1MEN1KMT2AMAPTALDH1A1

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