SCHEMBL7538944

SCHEMBL7538944

NC(=O)CCc1ccc(NC(=O)CN2CCNCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.46
▸ SMYD3 Q9H7B4 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ REV1 Q9UBZ9 1/20 0.44
▸ ATM Q13315 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KHK P50053 1/20 0.44

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
SCHEMBL7536797 0.88 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1THRBHRH3
Hydrochloric Acid SCHEMBL7538691 0.85 POLB (0.57) SMN1; SMN2KDM4EALDH1A1THRBHRH3
SCHEMBL7544924 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1THRBHRH3
SCHEMBL7279730 0.82 MEN1 (0.61) SMN1; SMN2KDM4EALDH1A1TDP1MEN1
SCHEMBL7536722 0.82 SMN1; SMN2 (0.48) SMN1; SMN2KDM4EALDH1A1THRBHRH3
SCHEMBL7540035 0.81 HRH3 (0.55) SMN1; SMN2ALDH1A1HRH3HPGDKMT2A
SCHEMBL7278718 0.79 ALDH1A1 (0.62) SMN1; SMN2KDM4EALDH1A1THRBMEN1
SCHEMBL7538029 0.79 HRH3 (0.44) SMN1; SMN2KDM4EALDH1A1THRBHRH3
SCHEMBL7538936 0.78 POLB (0.41) SMN1; SMN2KDM4EALDH1A1THRBHRH3
SCHEMBL7282287 0.78 NPC1 (0.58) SMN1; SMN2KDM4EALDH1A1THRBHTT

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
EP-1211249-A1 NOVEL THIAZINE OR PYRAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-05 — — EP disclosed
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