SCHEMBL11262589

SCHEMBL11262589

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 4/20 0.40
▸ HPGD P15428 4/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 6/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MC4R P32245 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 3/20 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
SCHEMBL11261115 0.91 MAPT (0.51) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11271738 0.90 MAPT (0.48) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11253904 0.88 MAPT (0.49) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11262236 0.83 MAPT (0.47) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11262352 0.81 MAPT (0.49) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11253932 0.80 MAPT (0.46) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11266789 0.80 MAPT (0.46) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11261511 0.79 MAPT (0.46) MAPTALDH1A1HPGDNPC1LMNA
Hydrochloric Acid SCHEMBL11262657 0.79 MAPT (0.46) MAPTALDH1A1HPGDNPC1LMNA
SCHEMBL11269347 0.79 MAPT (0.45) MAPTALDH1A1HPGDNPC1LMNA

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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