SCHEMBL10741925

SCHEMBL10741925

CCCCCCCC1Nc2ccccc2S1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.43
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RAB9A P51151 1/20 0.33
HTR5A P47898 1/20 0.33
GSK3B P49841 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL20182754 0.93 IDO1 (0.46) IDO1KDM4EMEN1KMT2ABRD4
SCHEMBL10738044 0.86 IDO1 (0.48) IDO1KDM4EMEN1KMT2ABRD4
SCHEMBL28272092 0.81 IDO1 (0.38) IDO1KDM4EMEN1KMT2ABRD4
SCHEMBL5437237 0.79 IDO1 (0.52) IDO1KDM4EMEN1KMT2ABRD4
SCHEMBL31403242 0.75 IDO1 (0.55) IDO1KDM4EMEN1KMT2ABRD4
SCHEMBL18873267 0.74 IDO1 (0.40) IDO1KDM4ETP53ALDH1A1GSK3B
SCHEMBL395007 0.72 IDO1 (0.44) IDO1MEN1KMT2ABRD4CREBBP
SCHEMBL20751699 0.71 IDO1 (0.47) IDO1KDM4EMEN1KMT2ABRD4
SCHEMBL20646066 0.71 IDO1 (0.47) IDO1KDM4EMEN1KMT2ABRD4
Sulfuric Acid SCHEMBL9171022 0.71 IDO1 (0.43) IDO1KDM4EMEN1KMT2ABRD4

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-4708810-A LUBRICANT ADDITIVE CASTROL LIMITED (GB) 1987-11-24 US disclosed