SCHEMBL11266789

SCHEMBL11266789

CCN(CC)CC(=O)Nc1nc2c(Cl)c3nc(NC(=O)CN(CC)CC)sc3c(OC)c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ GAA P10253 2/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MC4R P32245 1/20 0.37
▸ SCN4A P35499 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37

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
SCHEMBL11261115 0.89 MAPT (0.51) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11271738 0.85 MAPT (0.48) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11253932 0.83 MAPT (0.46) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11264221 0.82 NPC1 (0.45) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11259854 0.82 SMN1; SMN2 (0.52) MAPTALDH1A1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL11262657 0.82 MAPT (0.46) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11261511 0.82 MAPT (0.46) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11269297 0.81 SMN1; SMN2 (0.47) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11262352 0.81 MAPT (0.49) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11253904 0.81 MAPT (0.49) MAPTALDH1A1LMNAHPGDSMN1; SMN2

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
Send feedback