SCHEMBL7918653

SCHEMBL7918653

NC(=O)N(CCO)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 9/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 4/20 0.39
GAA P10253 2/20 0.39
CYP19A1 P11511 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ATM Q13315 1/20 0.37
TSHR P16473 3/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL7915293 0.78 SMN1; SMN2 (0.39) CYP3A4SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL27587729 0.75 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2APOLBHTT
SCHEMBL11570711 0.73 CYP3A4 (0.50) CYP3A4SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL848208 0.72 TSHR (0.36) ALDH1A1KMT2APOLBMEN1MAPT
SCHEMBL692306 0.71 ALDH1A1 (0.48) CYP3A4ALDH1A1KMT2AMEN1GAA
SCHEMBL6934889 0.71 CYP3A4 (0.60) CYP3A4SMN1; SMN2ALDH1A1KMT2APOLB
SCHEMBL16278131 0.69 MLYCD (0.34) CYP3A4SMN1; SMN2KMT2AMEN1
SCHEMBL27799342 0.69 MMP14 (0.50) ALDH1A1KMT2AMEN1GAAMAPT
SCHEMBL1990599 0.68 ADRA2C (0.50) CYP3A4SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL27947424 0.67 SMN1; SMN2 (0.50) CYP3A4SMN1; SMN2ALDH1A1KMT2APOLB

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
US-6200831-B1 HEAT-CURING A COATING OF A POLYAMIC ACID BASED ON A TETRACARBOXYLIC ACID AND A DIAMINE CONTAINNG AN ACTIVE OXYGEN OR NITROGEN FUNCTIONAL GROUP; SEALING THE EXTERNAL TERMINALS WITH A RESIN, E.G. AN EPOXIDE HITACHI, LTD. (JP) 2001-03-13 US disclosed
US-6087006-A SEMICONDUCTOR DEVICE HAVING SURFACE-PROTECTING FILM COMPRISING POLYIMIDE OBTAINED BY HEAT-CURING PRECURSOR HAVING POLAR SUBSTITUENTS AS THE SIDE CHAINS HITACHI, LTD. (JP) 2000-07-11 US disclosed