SCHEMBL11269297

SCHEMBL11269297

CCN(CC)CC(=O)Nc1nc2c(OC)c3nc(NC(=O)CN(CC)CC)sc3cc2s1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ TSHR P16473 2/20 0.43
▸ MAPT P10636 5/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CASP2 P42575 1/20 0.41
▸ CSNK1D P48730 3/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL11259222 0.86 NPC1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11262352 0.85 MAPT (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11262236 0.85 MAPT (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11271207 0.85 MAPT (0.44) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11266789 0.81 MAPT (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11264221 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL11269414 0.81 KMT2A (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL11256671 0.80 RAB9A (0.49) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL4509401 0.79 RAB9A (0.50) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL4493348 0.75 CASP2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1MEN1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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