SCHEMBL11255421

SCHEMBL11255421

O=C(CCl)Nc1nc2c(Cl)c3nc(NC(=O)CCl)sc3c(C(F)(F)F)c2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CASP2 P42575 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ CSNK1D P48730 6/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ACP1 P24666 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK3 Q00526 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL11261511 0.82 MAPT (0.46) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11264349 0.81 MAPT (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11261507 0.80 CCNE1 (0.36) ALDH1A1LMNAMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11264345 0.79 CCNE1 (0.35) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11260982 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL28144507 0.72 ALDH1A1 (0.49) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL4861743 0.68 GAA (0.62) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5904228 0.67 POLB (0.68) LMNAMEN1KMT2APOLBNPC1
SCHEMBL11268232 0.67 NPC1 (0.53) ALDH1A1LMNAMAPTCASP2KDM4E
SCHEMBL21589413 0.67 NPC1 (0.65) 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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