SCHEMBL12499265

SCHEMBL12499265

Cc1c(C(=O)O)c(Cc2ccc(F)cc2)nn1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
EGLN1 Q9GZT9 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
P2RX3 P56373 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
FYN P06241 1/20 0.37
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL12499400 0.86 VDR (0.49) SMN1; SMN2LMNAPOLB
SCHEMBL12498729 0.85 SRD5A2 (0.46) LMNAEGLN1ALDH1A1POLBPTGDR2
SCHEMBL12498677 0.85 PLA2G2A (0.45) SMN1; SMN2LMNAEGLN1USP2CYP1A2
SCHEMBL12499850 0.82 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP2C19ALDH1A1P2RX3
SCHEMBL12499672 0.80 RNASEH1 (0.43) LMNAPOLBPTGDR2
SCHEMBL12499272 0.76 HCAR2 (0.45) SMN1; SMN2LMNAPOLBP2RX3
SCHEMBL12499305 0.76 AADAT (0.43) SMN1; SMN2CYP1A2CYP2C19ALDH1A1POLB
SCHEMBL3718927 0.73 ALDH1A1 (0.47) SMN1; SMN2LMNACYP1A2CYP2C19ALDH1A1
SCHEMBL12499862 0.71 PLA2G2A (0.45) SMN1; SMN2LMNAALDH1A1TP53
SCHEMBL12499736 0.71 SRD5A2 (0.46) LMNAPOLBPTGDR2

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-2012103071-A2 COMPOUNDS AND COMPOSITIONS EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-02 WO disclosed