SCHEMBL11260982

SCHEMBL11260982

N#Cc1c2sc(NC(=O)CCl)nc2c(Cl)c2nc(NC(=O)CCl)sc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ LMNA P02545 6/20 0.40
▸ MAPT P10636 5/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ HPGD P15428 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ CASP2 P42575 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ NPC1 O15118 4/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ MITF O75030 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11265038 0.84 MAPT (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11253932 0.82 MAPT (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11262657 0.81 MAPT (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11255421 0.79 ALDH1A1 (0.40) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11262070 0.79 ALDH1A1 (0.35) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11265035 0.78 PIK3CD (0.35) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11262649 0.78 ALDH1A1 (0.34) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4861743 0.69 GAA (0.62) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11268232 0.68 NPC1 (0.53) ALDH1A1LMNAMAPTKDM4ECASP2
SCHEMBL11261115 0.68 MAPT (0.51) ALDH1A1LMNAMAPTMEN1KMT2A

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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