SCHEMBL27697216

SCHEMBL27697216

O=C(Nc1ccc(-n2c(C(F)(F)F)nc3ccccc32)c(C(F)(F)F)c1)c1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
HPGD P15428 3/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TLR8 Q9NR97 1/20 0.43
GRM4 Q14833 1/20 0.43
TP53 P04637 3/20 0.42
HTT P42858 2/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
PTGES O14684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPRC P08575 2/20 0.42

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
SCHEMBL2093694 0.93 CRACR2A (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL27717245 0.89 RAB9A (0.54) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL27697212 0.89 MAPT (0.53) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL27717099 0.84 MEN1 (0.53) RAB9ANPC1MEN1KMT2ATDP1
SCHEMBL10187725 0.83 RAB9A (0.47) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL2096498 0.83 CRACR2A (0.47) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13358991 0.81 CRACR2A (0.45) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13058248 0.81 CRACR2A (0.45) RAB9ANPC1ALDH1A1GRM4HTT
SCHEMBL2090600 0.81 RAB9A (0.45) RAB9ANPC1MAPTLMNASMN1; SMN2
SCHEMBL27697218 0.81 CRACR2A (0.52) RAB9ANPC1MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101083985-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2007-12-05 CN claimed
CN-101083985-A Compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP (US) 2007-12-05 CN disclosed