SCHEMBL8438622

SCHEMBL8438622

O=C(O)CSc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 3/20 0.59
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
AKR1C3 P42330 1/20 0.49
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.48
TBXAS1 P24557 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.47
G6PD P11413 1/20 0.47
CFTR P13569 1/20 0.47
FABP4 P15090 1/20 0.47
RAB9A P51151 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
HKDC1 Q2TB90 1/20 0.47
GOPC Q9HD26 1/20 0.47

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
SCHEMBL8441806 0.91 TAAR1 (0.54) TBXA2RMEN1KMT2ALMNAMAPT
SCHEMBL8441966 0.90 ALDH1A1 (0.52) TBXA2RAKR1C3MAPTTBXAS1MCL1
SCHEMBL8441801 0.89 ALDH1A1 (0.55) TBXA2RMEN1KMT2AAKR1C3LMNA
SCHEMBL8441378 0.89 MCL1 (0.47) TBXA2RMEN1KMT2AMAPTTBXAS1
SCHEMBL8439475 0.88 TBXA2R (0.59) TBXA2RMEN1KMT2AAKR1C3TBXAS1
SCHEMBL8441413 0.86 ALDH1A1 (0.58) TBXA2RMEN1KMT2AAKR1C3MAPT
SCHEMBL8438681 0.86 CA1 (0.53) TBXA2RMEN1KMT2AMAPTTBXAS1
SCHEMBL8439860 0.82 MCL1 (0.44) MEN1KMT2AMAPTPOLBG6PD
SCHEMBL9754213 0.80 TBXA2R (0.69) TBXA2RAKR1C3MAPTTP53TBXAS1
SCHEMBL10391960 0.79 MEN1 (0.63) TBXA2RMEN1KMT2AAKR1C3LMNA

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-5955505-A TREATING NERVE DEGENERATIVE DISORDERS NIPPON SUISAN KAISHA, LTD. (JP) 1999-09-21 US disclosed