SCHEMBL15524959

SCHEMBL15524959

O=C1CCCc2c1c[nH]c2-c1cc([N+](=O)[O-])ccc1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.46
BRD2 P25440 1/20 0.43
SMARCA2 P51531 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
CREBBP Q92793 1/20 0.43
BRWD1 Q9NSI6 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
CYP19A1 P11511 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
CYP2C9 P11712 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MLNR O43193 1/20 0.39
MMP1 P03956 1/20 0.39
MPO P05164 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
SCHEMBL15328848 0.81 BRD4 (0.72) BRD4BRD2SMARCA2BRD3BRDT
SCHEMBL15328558 0.74 BRD4 (0.66) BRD4BRD2SMARCA2BRD3BRDT
SCHEMBL7680896 0.69 BRD4 (0.65) BRD4MEN1KMT2ALMNACYP1A2
SCHEMBL1553699 0.67 MAPT (0.57) BRD4CYP19A1MEN1KMT2ALMNA
SCHEMBL7885154 0.66 MAPT (0.56) BRD4CYP19A1MEN1KMT2ALMNA
SCHEMBL7813399 0.66 MEN1 (0.72) CYP19A1MEN1KMT2ALMNACYP1A2
SCHEMBL16547978 0.65 BRD4 (0.50) BRD4MEN1KMT2AKDM4EHSD17B10
SCHEMBL7885152 0.65 MAPT (0.54) BRD4CYP19A1MEN1KMT2ALMNA
SCHEMBL28337651 0.65 MEN1 (0.54) CYP19A1MEN1KMT2ALMNACYP1A2
SCHEMBL4029870 0.65 PDE7A (0.73) CYP19A1MEN1KMT2ALMNACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838881-A1 ISOINDOLONE DERIVATIVES AbbVie Inc. (US) 2015-02-25 EP disclosed
WO-2013155695-A1 ISOINDOLONE DERIVATIVES ABBOTT LABORATORIES (US) 2013-10-24 WO disclosed