SCHEMBL25387147

SCHEMBL25387147

NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCN2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
CYP3A4 P08684 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
ALDH1A1 P00352 9/20 0.44
HTT P42858 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.37
HSD17B10 Q99714 2/20 0.37
POLB P06746 2/20 0.37
MCL1 Q07820 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL28834807 0.83 ALDH1A1 (0.46) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL29901692 0.83 ALDH1A1 (0.46) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL30514062 0.81 ALDH1A1 (0.62) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL108526 0.77 MAPT (0.64) MAPTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL303812 0.77 MAPT (0.44) MAPTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL31451466 0.77 ALDH1A1 (0.48) MAPTCYP3A4ALDH1A1HTTMEN1
SCHEMBL31451405 0.77 AR (0.51) MAPTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL15918696 0.75 MAPT (0.60) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL14174533 0.74 ALDH1A1 (0.48) MAPTCYP3A4ALDH1A1HTTMEN1
SCHEMBL19030215 0.74 MAPT (0.41) MAPTCYP3A4ALDH1A1HTTMEN1

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-2023165438-A1 TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2023-09-07 WO disclosed