SCHEMBL20139848

SCHEMBL20139848

Cc1c(CO)cc(C(=O)O)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HMGB1 P09429 2/20 0.38
CXCL12 P48061 2/20 0.38
TPMT P51580 1/20 0.37
CSNK2A1 P68400 1/20 0.35
NOTUM Q6P988 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL5274832 0.85 KDM4E (0.44) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL316590 0.84 KDM4E (0.40) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL20141358 0.82 KDM4E (0.41) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL27449011 0.80 TPMT (0.48) KDM4EMEN1KMT2ATDP1TPMT
SCHEMBL27411185 0.79 KDM4E (0.54) KDM4EMEN1KMT2ATDP1HMGB1
SCHEMBL13199299 0.79 PDCD1 (0.41) KDM4ECSNK2A1GABRPGABRDGABRA1
SCHEMBL28324640 0.77 HMGB1 (0.45) HMGB1CXCL12GABRPGABRDGABRA1
SCHEMBL18541219 0.77 SHBG (0.39) KDM4EMEN1KMT2AHPGDHSD17B10
SCHEMBL27952126 0.76 SMN1; SMN2 (0.46) KDM4ETDP1HPGDHSD17B10CA12
SCHEMBL13199185 0.75 NPSR1 (0.41) KDM4EHMGB1CXCL12TPMTCSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed