SCHEMBL20291392

SCHEMBL20291392

O=[N+]([O-])c1ccc(SNC2CCCC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
POLB P06746 3/20 0.58
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
EPHX1 P07099 2/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
ALOX12 P18054 1/20 0.42
HTT P42858 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
SCHEMBL6901785 0.86 MAPT (0.43) MAPTPOLBLMNAGAAEPHX1
SCHEMBL19063506 0.75 KMT2A (0.46) MAPTLMNAGAAMEN1KMT2A
SCHEMBL14224951 0.74 BCHE (0.46) LMNAGAAALDH1A1SMN1; SMN2
SCHEMBL11661891 0.74 ALDH1A1 (0.65) MAPTPOLBLMNAGAAEPHX1
SCHEMBL2338541 0.74 MAPT (0.50) MAPTPOLBLMNAGAAEPHX1
SCHEMBL3477664 0.74 MAPT (1.00) MAPTPOLBLMNAGAAEPHX1
SCHEMBL10513227 0.72 MAOA (0.50) MAPTPOLBLMNAGAAEPHX1
SCHEMBL3477702 0.72 MAPT (0.96) MAPTPOLBLMNAGAAEPHX1
SCHEMBL26012277 0.72 MAOA (0.50) MAPTPOLBLMNAGAAEPHX1
SCHEMBL16755954 0.72 MAPT (0.96) MAPTPOLBLMNAGAAEPHX1

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-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 EP disclosed
WO-2018112037-A1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) ZHOU JIA (US) 2018-06-21 WO disclosed