SCHEMBL9412497

SCHEMBL9412497

COC(=O)CCCS(=O)(=O)c1ccc2nc(CCC3CCNCC3)n(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NMT1 P30419 6/20 0.40
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ACSS2 Q9NR19 1/20 0.36
▸ PDE3B Q13370 3/20 0.35
▸ PDE3A Q14432 3/20 0.35
▸ PDE2A O00408 2/20 0.35
▸ P2RY12 Q9H244 2/20 0.35
▸ RECQL P46063 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
Bromide SCHEMBL9412756 0.90 CNR2 (0.43) CNR2MEN1KMT2ALMNANMT1
SCHEMBL9412499 0.83 PDE3B (0.52) PDE3BPDE3APDE2AP2RY12
SCHEMBL9412644 0.82 PDE3B (0.35) CNR2LMNANMT1ALDH1A1TSHR
SCHEMBL9412582 0.82 PDE3B (0.38) MEN1KMT2ALMNAALDH1A1PDE3B
SCHEMBL9412664 0.80 PDE3B (0.42) CNR2LMNANMT1ALDH1A1TSHR
SCHEMBL9412691 0.79 ALDH1A1 (0.45) CNR2MEN1KMT2ALMNAALDH1A1
SCHEMBL9412536 0.79 ITGB3 (0.46) ACSS2
SCHEMBL9412511 0.76 MAPT (0.45) LMNA
SCHEMBL9412731 0.74 KDM4E (0.52) MEN1KMT2AALDH1A1RECQL
Bromide SCHEMBL9412485 0.74 PDE3B (0.50) PDE3BPDE3APDE2AP2RY12

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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