SCHEMBL11266127

SCHEMBL11266127

CCN(CC)CC(=O)Nc1nc2c(Cl)c3nc(NC(=O)CN(CC)CC)sc3c(-c3ccccc3)c2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 11/20 0.41
▸ MAPK1 P28482 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ SCN4A P35499 1/20 0.40
▸ MC3R P41968 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ GLA P06280 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 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
SCHEMBL11259929 0.88 MAPT (0.55) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11271127 0.88 MAPT (0.43) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11261115 0.85 MAPT (0.51) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11271738 0.82 MAPT (0.48) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11253932 0.80 MAPT (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11266789 0.80 MAPT (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11262657 0.79 MAPT (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11261511 0.79 MAPT (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11266123 0.79 NPC1 (0.41) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL11262352 0.78 MAPT (0.49) MAPTMEN1KMT2AALDH1A1MAPK1

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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