SCHEMBL10754261

SCHEMBL10754261

Nc1ccc2ccc(SCc3ccccc3)nc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 5/20 0.50
POLB P06746 3/20 0.43
ALOX15 P16050 1/20 0.43
SCN9A Q15858 1/20 0.42
HSP90AA1 P07900 1/20 0.42
TP53 P04637 3/20 0.41
MPO P05164 1/20 0.40
CXCR2 P25025 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
LMNA P02545 2/20 0.40
PIN1 Q13526 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL8979785 0.80 RAB9A (0.56) RAB9ASMN1; SMN2NPC1POLBALOX15
SCHEMBL29464867 0.80 RAB9A (0.56) RAB9ASMN1; SMN2NPC1POLBALOX15
Hydrochloric Acid SCHEMBL10563346 0.78 RAB9A (0.54) RAB9ASMN1; SMN2NPC1POLBALOX15
SCHEMBL3499813 0.76 RAB9A (0.56) RAB9ASMN1; SMN2NPC1POLBALOX15
SCHEMBL29177611 0.73 RXFP1 (0.60) RAB9ASMN1; SMN2NPC1KMT2AMEN1
Ammonia Solution, Strong SCHEMBL28220202 0.70 RXFP1 (0.57) RAB9ASMN1; SMN2NPC1KMT2AMEN1
SCHEMBL10665791 0.70 HTR7 (0.49)
SCHEMBL10474332 0.70 IDO1 (0.41) LMNAALDH1A1
SCHEMBL1765925 0.70 BACE1 (0.48) KMT2AALDH1A1
SCHEMBL5648662 0.68 L3MBTL1 (0.48) RAB9ASMN1; SMN2NPC1POLBALOX15

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-4642308-A ANTICONVULSANTS, ANXIOLYTIC AGENTS, ANTIEPILEPTIC AGENTS, HYPNOTICS, MUSCLE RELAXANTS RHONE-POULENC SANTE (FR) 1987-02-10 US disclosed