SCHEMBL9640970

SCHEMBL9640970

COc1ncc(Br)c2nc(SCc3ccccc3)nn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
CKS1B P61024 8/20 0.43
SKP2 Q13309 8/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 3/20 0.41
METAP2 P50579 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 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
SCHEMBL9642664 0.87 ALDH1A1 (0.53) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL9642141 0.87 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL8103143 0.86 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL8111887 0.86 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL9642193 0.83 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL9641813 0.81 ALDH1A1 (0.49) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL7851305 0.81 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL9642188 0.79 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL9641291 0.78 ALDH1A1 (0.51) ALDH1A1NPC1RAB9ACKS1BSKP2
SCHEMBL9535407 0.77 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ACKS1BSKP2

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-5163995-A For use with grassy crops and soybeans DOWELANCO (US) 1992-11-17 US disclosed