SCHEMBL11037482

SCHEMBL11037482

C=Cc1ccccn1.C=Cc1nccs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
NR4A1 P22736 1/20 0.41
USP2 O75604 1/20 0.40
MAOA P21397 1/20 0.40
ALDH1A1 P00352 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PKM P14618 2/20 0.37
RIOK2 Q9BVS4 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDPK1 O15530 1/20 0.35
MAPK1 P28482 2/20 0.35

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
SCHEMBL2403062 0.81 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2RIOK2
SCHEMBL15193 0.81
SCHEMBL39666 0.81
SCHEMBL29371456 0.81
SCHEMBL9359592 0.81 MEN1 (0.67) RAB9ANPC1MEN1KMT2AATM
SCHEMBL17627810 0.80 NPC1 (0.61) RAB9ANPC1MEN1KMT2AATM
Water SCHEMBL1276018 0.79
Iodide SCHEMBL10987591 0.79 MEN1 (0.64) RAB9ANPC1MEN1KMT2AATM
Phosphine SCHEMBL3755463 0.79
Iodide SCHEMBL1274592 0.79

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
EP-0147667-A1 Reaction product and its use as additive conferring water resistance on ink compositions and colouring compositions and on paper ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1985-07-10 EP disclosed