SCHEMBL8726103

SCHEMBL8726103

c1ccc(-c2cc(-n3ccnc3)c(-n3ccnc3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TSHR P16473 2/20 0.49
ALOX15 P16050 1/20 0.49
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
CYP3A4 P08684 6/20 0.46
IDO1 P14902 3/20 0.45
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
CYP1A2 P05177 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP2C9 P11712 4/20 0.43
CYP2C19 P33261 4/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 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
SCHEMBL8724176 0.85 CYP1A2 (0.38) MEN1KMT2ATSHRALOX15CYP3A4
SCHEMBL8720881 0.84 MEN1 (0.47) MEN1KMT2ATSHRALOX15LMNA
SCHEMBL8726099 0.82 PKM (0.41) MEN1KMT2ALMNACYP3A4CYP1A2
SCHEMBL8722319 0.78 MEN1 (0.42) MEN1KMT2ATSHRALOX15LMNA
SCHEMBL8722249 0.74 IDO1 (0.39) MEN1KMT2ACYP3A4IDO1CYP11B1
SCHEMBL8724299 0.73 IDO1 (0.49) MEN1KMT2ACYP3A4IDO1CYP1A2
SCHEMBL27958208 0.73 CYP11B1 (0.54) MEN1KMT2ATSHRALOX15LMNA
SCHEMBL27947676 0.70 MEN1 (0.58) MEN1KMT2ATSHRALOX15LMNA
SCHEMBL29852234 0.70 MEN1 (0.58) MEN1KMT2ATSHRALOX15LMNA
SCHEMBL16382293 0.70 IDO1 (0.73) MEN1KMT2ATSHRALOX15LMNA

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-1998000430-A1 IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed