SCHEMBL9130927

SCHEMBL9130927

O=S(=O)(NCCc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.90
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
ALDH1A1 P00352 5/20 0.62
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.62
TBXA2R P21731 1/20 0.59
KDM4E B2RXH2 1/20 0.58
PPARG P37231 2/20 0.57
MAPT P10636 1/20 0.56
MCHR1 Q99705 3/20 0.55
PRMT1 Q99873 1/20 0.54
USP2 O75604 1/20 0.54
CHRM1 P11229 2/20 0.53
HTR2A P28223 2/20 0.53
CYP2D6 P10635 1/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.52
SIGMAR1 Q99720 4/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL3868846 0.96 LSS (0.98) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9129519 0.91 LSS (0.76) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9129012 0.89 LSS (0.72) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL3868239 0.88 LSS (0.72) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9754552 0.84 MEN1 (0.84) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9131391 0.84 LSS (0.65) LSSMEN1KMT2AALDH1A1LMNA
SCHEMBL9172903 0.83 LSS (0.64) LSS
SCHEMBL9170751 0.82 HPGD (0.75) LSSMEN1KMT2AALDH1A1LMNA
Hydrochloric Acid SCHEMBL27587869 0.81 LSS (0.62) LSSKMT2AALDH1A1LMNAMAPT
SCHEMBL9484288 0.79 LSS (0.59) LSSMEN1KMT2AALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed