SCHEMBL7984789

SCHEMBL7984789

O=C(O)NCCNc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.64
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 2/20 0.64
HTT P42858 1/20 0.64
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
GAA P10253 1/20 0.63
GLA P06280 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HPGD P15428 2/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
ALOX12 P18054 1/20 0.58
RAB9A P51151 1/20 0.54

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
SCHEMBL25240545 0.89 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL25210427 0.89 ALDH1A1 (0.69) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL9003269 0.86 MAPT (0.70) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL24648 0.85 MAPT (0.62) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL14252852 0.85 ALDH1A1 (0.83) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL5623968 0.83 ALDH1A1 (0.84) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL18180862 0.81 MAPT (0.84) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL18138767 0.81 MAPT (0.56) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL18138764 0.81 MAPT (0.56) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL6259751 0.81 ALDH1A1 (0.59) MAPTALDH1A1KDM4EMEN1KMT2A

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
WO-2001077077-A1 SUBSTITUTED (HETERO)ARYL CARBOXAMIDE DERIVATIVES AS MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN (MTP) AND APOLIPOPROTEIN B (APO B) SECRETION NOVARTIS AG (CH) 2001-10-18 WO disclosed