SCHEMBL9465422

SCHEMBL9465422

c1ccn(-c2ccns2)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.36
KAT2B Q92831 1/20 0.36
KAT5 Q92993 1/20 0.36
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAP2K3 P46734 1/20 0.31
MAPK14 Q16539 1/20 0.31

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
SCHEMBL3082360 0.66 KDM4E (0.35) KDM4EGAANPC1MAPK1RAB9A
Pyridine SCHEMBL27784037 0.61 CYP3A4 (0.38) KDM4EGAASMN1; SMN2
SCHEMBL27656935 0.59 SMN1; SMN2 (0.40) KDM4EGAANPC1RAB9ASMN1; SMN2
SCHEMBL15871030 0.58 EP300 (0.42) EP300KAT2BKAT5
SCHEMBL3148048 0.57 GOT1 (0.37)
SCHEMBL1407146 0.57 NPC1 (0.50) NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL16720313 0.57 HDAC8 (0.37)
SCHEMBL1192475 0.57 NPC1 (0.45) KDM4EGAANPC1MAPK1RAB9A
SCHEMBL3182746 0.55
SCHEMBL7623308 0.55

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-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed