SCHEMBL11261511

SCHEMBL11261511

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ NPC1 O15118 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 6/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MC4R P32245 1/20 0.36
▸ SCN4A P35499 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ HTR3A P46098 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA2B P29275 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
Hydrochloric Acid SCHEMBL11264349 0.99 MAPT (0.45) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11261115 0.87 MAPT (0.51) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11271738 0.84 MAPT (0.48) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11253932 0.82 MAPT (0.46) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11266789 0.82 MAPT (0.46) MAPTNPC1ALDH1A1LMNACYP3A4
Hydrochloric Acid SCHEMBL11262657 0.81 MAPT (0.46) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11253904 0.80 MAPT (0.49) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11262352 0.80 MAPT (0.49) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11266127 0.79 MAPT (0.49) MAPTNPC1ALDH1A1LMNACYP3A4
SCHEMBL11259854 0.79 SMN1; SMN2 (0.52) MAPTNPC1ALDH1A1LMNAHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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