SCHEMBL11809259

SCHEMBL11809259

Cc1csc(C(O)CN)c1C

nearest known ligand 0.32

Predicted protein targets (top 10)

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
IDO1 P14902 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL28183636 0.85
SCHEMBL11196912 0.82 APEX1 (0.36) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL11809353 0.82
SCHEMBL7146853 0.81 TSHR (0.31) TAAR1HTR3ATSHRNFKB1HIF1A
Hydrochloric Acid SCHEMBL4857186 0.79 ALOX15 (0.32) TSHRHIF1AALOX15KDM4EAPEX1
SCHEMBL20103595 0.72 TAAR1 (0.32) TAAR1HTR3ATSHRNFKB1HIF1A
SCHEMBL11809452 0.71 ADRB2 (0.33) KDM4ETDP1
Oxalic Acid SCHEMBL11816926 0.69 ADRB2 (0.38) TSHRNFKB1HIF1AALOX15KDM4E
Lactic Acid SCHEMBL11809857 0.68 ADRB2 (0.40) TSHRNFKB1HIF1AALOX15KDM4E
SCHEMBL11810238 0.68 ADRB2 (0.38) TSHRKDM4E

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-3954871-A ANTIARRHYTHMIA, VASODILATOR, HYPOTENSIVE CONTINENTAL PHARMA (BE) 1976-05-04 US disclosed