SCHEMBL21133263

SCHEMBL21133263

CSc1cccc(NC(=O)c2ccncc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.66
SMN1; SMN2 Q16637 6/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 3/20 0.64
GRM4 Q14833 1/20 0.64
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
LMNA P02545 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KCNK9 Q9NPC2 1/20 0.62
TP53 P04637 3/20 0.61
NPSR1 Q6W5P4 2/20 0.61
TSHR P16473 1/20 0.61
HTT P42858 1/20 0.59
HSD17B10 Q99714 2/20 0.57
MAPT P10636 2/20 0.57
POLB P06746 1/20 0.57

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
SCHEMBL27181188 0.89 SMN1; SMN2 (0.74) KCNK3SMN1; SMN2RAB9ANPC1GRM4
SCHEMBL30926970 0.89 SMN1; SMN2 (0.74) KCNK3SMN1; SMN2RAB9ANPC1GRM4
SCHEMBL7748130 0.86 SMN1; SMN2 (0.71) KCNK3SMN1; SMN2RAB9ANPC1GRM4
SCHEMBL95529 0.82 SMN1; SMN2 (0.66) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL259421 0.80 KCNK3 (0.86) KCNK3SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL23309731 0.80 MEN1 (0.60) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL12021948 0.80 KCNK3 (0.87) KCNK3SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL31010198 0.79 RAB9A (0.68) SMN1; SMN2RAB9ANPC1GRM4KMT2A
SCHEMBL8710646 0.78 RAB9A (0.60) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL11083807 0.77 KCNK3 (0.82) KCNK3SMN1; SMN2RAB9AKMT2AMEN1

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-3502198-A1 INK FOR INK JET RECORDING, INK JET RECORDING METHOD, INFRARED READING METHOD, AND PRINTED PRODUCT FUJIFILM Corporation (JP) 2019-06-26 EP disclosed