SCHEMBL11262749

SCHEMBL11262749

CCCN(CCC)CC(=O)Nc1nc2c(C(=O)O)c3nc(NC(=O)CN(CCC)CCC)sc3cc2s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ MAPT P10636 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ ACP1 P24666 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL11264138 0.82 RAB9A (0.48) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11255071 0.81 RAB9A (0.47) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11259222 0.77 NPC1 (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11264975 0.76 ALDH1A1 (0.44) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL11271207 0.76 MAPT (0.44) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11262236 0.76 MAPT (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11262352 0.76 MAPT (0.49) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11269297 0.74 SMN1; SMN2 (0.47) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL11269414 0.72 KMT2A (0.50) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL11270922 0.71 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1NPC1RAB9A

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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