SCHEMBL19860116

SCHEMBL19860116

Cc1nc2cc(NC(=O)c3ccc(C(C)C)cc3)ccc2s1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.72
LMNA P02545 1/20 0.64
RAB9A P51151 8/20 0.59
NPC1 O15118 6/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
CASP3 P42574 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
MAPT P10636 2/20 0.56
POLB P06746 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL4986940 0.93 TRPV1 (0.62) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5934320 0.88 TRPV1 (0.58) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6308329 0.88 RAB9A (0.55) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5783405 0.88 TRPV1 (0.76) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL14985573 0.87 TRPV1 (0.79) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5781407 0.85 TRPV1 (0.76) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL30369793 0.85 RAB9A (0.81) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5787140 0.84 RAB9A (0.74) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5781677 0.84 TRPV1 (1.00) TRPV1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL13763263 0.83 TRPV1 (0.80) TRPV1LMNARAB9ANPC1SMN1; SMN2

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-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed