SCHEMBL18599564

SCHEMBL18599564

N#CCC(N)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
TAAR1 Q96RJ0 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL28298134 1.00 ALOX5 (0.38) ALOX5IDO1TDO2TAAR1MAPT
SCHEMBL28296418 1.00 ALOX5 (0.38) ALOX5IDO1TDO2TAAR1MAPT
Hydrochloric Acid SCHEMBL28923538 0.98 IDO1 (0.39) ALOX5IDO1TDO2TAAR1MAPT
Hydrochloric Acid SCHEMBL19925908 0.98 IDO1 (0.39) ALOX5IDO1TDO2TAAR1MAPT
Hydrochloric Acid SCHEMBL19925906 0.98 IDO1 (0.39) ALOX5IDO1TDO2TAAR1MAPT
Hydrochloric Acid SCHEMBL19925967 0.96 ALOX5 (0.36) ALOX5IDO1TDO2MAPTSMN1; SMN2
SCHEMBL4453353 0.77 HTR1A (0.38) ALOX5IDO1TDO2MAPTSMN1; SMN2
SCHEMBL11956268 0.77 ALOX5 (0.41) ALOX5IDO1TDO2MAPTSMN1; SMN2
SCHEMBL4453350 0.77 HTR1A (0.38) ALOX5IDO1TDO2MAPTSMN1; SMN2
SCHEMBL4704141 0.75

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN disclosed
CN-109843379-A Substituted ureas and methods of making and using the same 梅比斯发现公司 2019-06-04 CN disclosed
EP-2348023-B9 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORP (US) 2017-03-08 EP disclosed