SCHEMBL20103595

SCHEMBL20103595

Cc1csc(C)c1C(O)CN

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.32
HTR3A P46098 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11809259 0.72 TAAR1 (0.32) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL7146853 0.69 TSHR (0.31) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL5735343 0.68 TSHR (0.46) TAAR1HTR3ATSHRNFKB1HIF1A
Hydrochloric Acid SCHEMBL4857186 0.68 ALOX15 (0.32) TSHRHIF1AKDM4EALOX15APEX1
SCHEMBL17048947 0.67
SCHEMBL3705866 0.63 SMN1; SMN2 (0.42) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL11196912 0.63 APEX1 (0.36) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL8880562 0.63 TAAR1 (0.35) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL19736660 0.63 MAPT (0.40) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL14074122 0.60 TAAR1 (0.35) TAAR1HTR3ATSHRNFKB1HIF1A

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
EP-3110810-B1 PYRAZOLE AMIDE DERIVATIVE TEIJIN PHARMA LTD (JP) 2018-05-02 EP disclosed