SCHEMBL8438979

SCHEMBL8438979

O=C(O)CSc1c(F)cc(CCNS(=O)(=O)c2ccc(F)cc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.58
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TBXAS1 P24557 1/20 0.52
ALDH1A1 P00352 5/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
SGMS1 Q86VZ5 2/20 0.47
MEN1 O00255 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
TBXA2R P21731 2/20 0.46
HK1 P19367 1/20 0.46
MCL1 Q07820 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46

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
SCHEMBL8442601 0.91 TAAR1 (0.52) TAAR1TDP1TBXAS1ALDH1A1MAPT
SCHEMBL8438739 0.91 ALDH1A1 (0.56) TAAR1LMNACYP1A2POLBCYP2D6
SCHEMBL8439475 0.91 TBXA2R (0.59) TBXAS1MEN1KMT2ATBXA2R
SCHEMBL8437940 0.91 TBXAS1 (0.50) TAAR1POLBTBXAS1ALDH1A1MAPT
SCHEMBL8441016 0.88 ALDH1A1 (0.59) POLBALDH1A1MAPTSGMS1MEN1
SCHEMBL8441089 0.88 CA1 (0.53) TAAR1TBXAS1ALDH1A1GAAMAPT
SCHEMBL8441806 0.87 TAAR1 (0.54) TAAR1LMNACYP1A2POLBCYP2D6
SCHEMBL8441823 0.81 MCL1 (0.39) LMNAPOLBALDH1A1MAPTKMT2A
SCHEMBL8441966 0.79 ALDH1A1 (0.52) TAAR1TDP1TBXAS1ALDH1A1MAPT
SCHEMBL8441378 0.78 MCL1 (0.47) TAAR1CYP1A2POLBCYP2D6CYP2C19

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