SCHEMBL9129290

SCHEMBL9129290

O=S(=O)(NCCc1ccc(CCn2ccnc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.63
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 3/20 0.57
TBXA2R P21731 1/20 0.54
PRMT1 Q99873 1/20 0.53
PPARG P37231 1/20 0.52
LSS P48449 1/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP19A1 P11511 1/20 0.50

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
SCHEMBL9129697 0.88 TBXAS1 (0.56) TBXAS1KMT2AMEN1ALDH1A1
SCHEMBL10837653 0.85 ALDH1A1 (0.77) TBXAS1KMT2AALDH1A1POLBLMNA
SCHEMBL10838285 0.84 ALDH1A1 (0.71) TBXAS1ALDH1A1POLBCYP19A1
SCHEMBL9128618 0.84 MEN1 (0.64) KMT2AMEN1ALDH1A1TBXA2RPRMT1
SCHEMBL10836309 0.83 ALDH1A1 (0.70) TBXAS1ALDH1A1POLBCYP19A1
Hydrochloric Acid SCHEMBL10836734 0.82 ALDH1A1 (0.68) TBXAS1ALDH1A1POLBCYP19A1
SCHEMBL9754552 0.80 MEN1 (0.84) KMT2AMEN1ALDH1A1TBXA2RPRMT1
SCHEMBL9661115 0.80 TBXA2R (0.62) TBXAS1KMT2AMEN1ALDH1A1TBXA2R
SCHEMBL9131822 0.79 MEN1 (0.57) TBXAS1KMT2AMEN1ALDH1A1TBXA2R
SCHEMBL8309573 0.78 TBXAS1 (1.00) TBXAS1TBXA2R

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