SCHEMBL11876367

SCHEMBL11876367

COCCSc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 7/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 5/20 0.41
PKM P14618 1/20 0.41
MAP2K7 O14733 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 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
SCHEMBL2940920 0.88 KDM4E (0.50) MAPK1CYP3A4TSHRMEN1KMT2A
SCHEMBL1808815 0.81 CYP3A4 (0.55) MAPK1CYP3A4TSHRMEN1KMT2A
SCHEMBL12203984 0.80 KDM4E (0.53) CYP3A4ALDH1A1NPC1RAB9AKDM4E
SCHEMBL24894090 0.80 CYP3A4 (0.44) MAPK1CYP3A4TSHRMEN1KMT2A
SCHEMBL6362994 0.78 LMNA (0.42) MAPK1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1939218 0.78 ALDH1A1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL11752648 0.78 MCL1 (0.37) CYP3A4MEN1KMT2AGAAALDH1A1
SCHEMBL1025612 0.77 ALDH1A1 (0.64) MAPK1CYP3A4TSHRMEN1KMT2A
SCHEMBL8809913 0.77 CA12 (0.57) MAPK1CYP3A4TSHRMEN1KMT2A
SCHEMBL12110770 0.77 MAPK1 (0.50) MAPK1CYP3A4TSHRMEN1KMT2A

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
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 US disclosed