SCHEMBL28501568

SCHEMBL28501568

CNc1ccc(OC(F)F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.41
ABL1 P00519 1/20 0.40
NNMT P40261 1/20 0.40
ROCK1 Q13464 1/20 0.39
APP P05067 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 3/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
GPR65 Q8IYL9 1/20 0.37
MBOAT4 Q96T53 1/20 0.37
HCRTR1 O43613 1/20 0.37
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
ADAM17 P78536 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRM5 P41594 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 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
SCHEMBL22658302 0.81 ROCK1 (0.42) ABL1ROCK1KDM4EMAPTGAA
SCHEMBL29433388 0.81 ROCK1 (0.42) ABL1ROCK1KDM4EMAPTGAA
SCHEMBL14267861 0.76 APP (0.53) HCAR3NNMTAPPMAPTGAA
SCHEMBL12147787 0.75 RXRA (0.41) ABL1KDM4EMAPTMBOAT4GRM5
Hydrochloric Acid SCHEMBL29005140 0.73 HCAR3 (0.40) HCAR3ABL1NNMTAPPHCRTR1
SCHEMBL24665317 0.72 CHRNB2 (0.39) ROCK1ALOX15GFERADAM17LMNA
SCHEMBL30005327 0.72 CHRNB2 (0.39) ROCK1ALOX15GFERADAM17LMNA
Hydrochloric Acid SCHEMBL7001795 0.72 HCAR3 (0.42) HCAR3NNMTAPPMAPT
SCHEMBL27978103 0.72 KDM4E (0.60) NNMTKDM4EMAPTHCRTR1NPC1
SCHEMBL12248266 0.72 KDM4E (0.38) ROCK1KDM4EMAPTMBOAT4ALOX15

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-112204006-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2023-11-28 CN disclosed
CN-112204006-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-08 CN disclosed
CN-112166113-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2021-01-01 CN disclosed