SCHEMBL10564166

SCHEMBL10564166

COCc1ccn2nc(SCc3ccccc3)nc2n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM1A O60341 3/20 0.42
CKS1B P61024 2/20 0.42
SKP2 Q13309 2/20 0.42
METAP2 P50579 1/20 0.41
ABCB1 P08183 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PDE10A Q9Y233 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9777338 0.84 RAB9A (0.63) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9831659 0.82 RAB9A (0.60) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9831574 0.80 RAB9A (0.64) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL10562300 0.78 ALDH1A1 (0.58) RAB9ANPC1ALDH1A1KMT2AKDM1A
SCHEMBL9832719 0.78 RAB9A (0.64) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9831324 0.78 RAB9A (0.61) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL10562327 0.77 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1KMT2AKDM1A
SCHEMBL9833410 0.77 RAB9A (0.60) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9833188 0.74 RAB9A (0.64) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL9832053 0.73 RAB9A (1.00) RAB9ANPC1ALDH1A1KMT2AMEN1

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-4854964-A Triazolo-pyrimidine-2-sulphonamides having herbicidal utility BAYER AKTIENGESELLSCHAFT (DE) 1989-08-08 US disclosed