SCHEMBL9850566

SCHEMBL9850566

Cc1nnc(NCCNCCNc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
BCHE P06276 1/20 0.48
CA12 O43570 2/20 0.48
CA4 P22748 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL9850720 0.85 RAB9A (0.48) NPC1RAB9AKMT2AMEN1BCHE
SCHEMBL9850631 0.84 NPC1 (0.55) NPC1RAB9AKMT2AMEN1CA9
SCHEMBL9850541 0.81 BCHE (0.48) BCHECA12CA4CA7CA9
SCHEMBL9850410 0.81 HTR1A (0.62) NPC1RAB9AKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL9850536 0.79 ALDH1A1 (0.70) KMT2AMEN1BCHECA12CA4
SCHEMBL9850321 0.78 MAPT (0.63) KMT2AMEN1BCHECA12CA4
SCHEMBL9850451 0.77 ALDH1A1 (0.56) KMT2ABCHECA12CA4CA7
SCHEMBL9850459 0.76 CA12 (0.51) BCHECA12CA4CA7CA9
SCHEMBL11283741 0.75 CA12 (0.77) NPC1RAB9AKMT2AMEN1BCHE
SCHEMBL20431301 0.75 KDR (0.47) NPC1RAB9AKMT2AMEN1CA12

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-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed