SCHEMBL27635467

SCHEMBL27635467

Nc1cc(Cl)c(-c2ccccc2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.43
▸ CSNK2A1 P68400 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ AR P10275 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MET P08581 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
SCHEMBL1828958 0.84 ACHE (0.45) ACHEHSD17B10ALDH1A1FFAR4BACE1
SCHEMBL12364208 0.79 ALDH1A1 (0.50) CSNK2A1HSD17B10ALDH1A1CYP2A6BACE1
SCHEMBL28087913 0.77 TRPV1 (0.41) CSNK2A1CYP2A6AR
SCHEMBL26456968 0.77 CSNK2A1 (0.44) CSNK2A1HSD17B10ALDH1A1CYP2A6BACE1
SCHEMBL30296558 0.77 CSNK2A1 (0.44) CSNK2A1HSD17B10ALDH1A1CYP2A6BACE1
SCHEMBL27635465 0.76 BCAT2 (0.47) HSD17B10ALDH1A1TSHRKDM4E
SCHEMBL2265147 0.76 CSNK2A1 (0.47) CSNK2A1HSD17B10ALDH1A1CYP2A6GAA
SCHEMBL13247609 0.75 GAA (0.46) FFAR4GLAPOLBGAATSHR
SCHEMBL21496766 0.74 ACHE (0.46) ACHEHSD17B10ALDH1A1BACE1ADORA3
SCHEMBL10922908 0.74 CSNK2A1 (0.48) CSNK2A1HSD17B10ALDH1A1CYP2A6BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 — — CN claimed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 — — CN claimed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 — — CN claimed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN claimed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN claimed
CN-1826121-B Application of phenyl and pyridyl derivatives in preparation of drugs for regulating calcium ion release and activating calcium ion channels SYNTA PHARMACEUTICALS CORP 2013-05-29 — — CN disclosed
CN-102793692-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP 2012-11-28 — — CN disclosed
CN-101947218-A The method of modulating calcium ion-release-activated calcium ion channels SYNTA PHARMACEUTICALS CORP 2011-01-19 — — CN disclosed
CN-1826121-A Method for regulating and controlling calcium ion release to activate calcium ion channel SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN disclosed
CN-1826120-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2006-08-30 — — CN disclosed
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