SCHEMBL27697212

SCHEMBL27697212

Cc1cc(NC(=O)c2ccccc2F)ccc1-n1c(C(F)(F)F)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 2/20 0.53
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
TP53 P04637 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CRACR2A Q9BSW2 1/20 0.44
HTT P42858 1/20 0.44
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TLR8 Q9NR97 1/20 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
SCHEMBL2096498 0.93 CRACR2A (0.47) MAPTLMNARAB9ANPC1TP53
SCHEMBL27697216 0.89 RAB9A (0.47) MAPTLMNARAB9ANPC1TP53
SCHEMBL27717245 0.88 RAB9A (0.54) MAPTLMNARAB9ANPC1KMT2A
SCHEMBL27717099 0.83 MEN1 (0.53) MAPTLMNARAB9ANPC1TP53
SCHEMBL2093694 0.83 CRACR2A (0.47) MAPTLMNARAB9ANPC1TP53
SCHEMBL10187725 0.82 RAB9A (0.47) MAPTRAB9ANPC1TP53ALDH1A1
SCHEMBL2092861 0.82 CRACR2A (0.45) MAPTLMNARAB9ANPC1TP53
SCHEMBL13358991 0.81 CRACR2A (0.45) MAPTLMNARAB9ANPC1TP53
SCHEMBL27717096 0.80 KCNH2 (0.46) MAPTLMNATP53KMT2AALDH1A1
SCHEMBL2090600 0.80 RAB9A (0.45) MAPTLMNARAB9ANPC1ALDH1A1

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