SCHEMBL20092297

SCHEMBL20092297

CNc1ccc(N2CCC2)cc1N(C)S(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 4/20 0.48
MAPT P10636 5/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.40
HTR6 P50406 5/20 0.39
JAK2 O60674 1/20 0.37
ADRB3 P13945 1/20 0.37
INSR P06213 1/20 0.36
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 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
SCHEMBL20073418 0.83 LMNA (0.44) TYK2MAPTKMT2AALDH1A1TSHR
SCHEMBL20073647 0.79 TYK2 (0.41) TYK2MAPTKMT2AALDH1A1TSHR
SCHEMBL26121387 0.79 MAPT (0.50) TYK2MAPTKMT2AALDH1A1TSHR
SCHEMBL26511011 0.78 MEN1 (0.46) TYK2MAPTKMT2AALDH1A1HPGD
SCHEMBL20073684 0.78 TYK2 (0.40) TYK2MAPTKMT2AALDH1A1CYP1A2
SCHEMBL24498535 0.77 MEN1 (0.48) TYK2MAPTKMT2AALDH1A1HPGD
SCHEMBL26546136 0.76 TSHR (0.40) TYK2MAPTKMT2AALDH1A1HPGD
SCHEMBL24497504 0.76 TSHR (0.40) TYK2MAPTKMT2AALDH1A1HPGD
SCHEMBL26544208 0.75 TSHR (0.40) TYK2MAPTKMT2AALDH1A1CYP1A2
SCHEMBL26545858 0.75 TSHR (0.40) TYK2MAPTKMT2AALDH1A1HPGD

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
WO-2018075937-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2018-04-26 WO disclosed