SCHEMBL27748146

SCHEMBL27748146

O=C(O)c1c(F)c(-n2nnnc2C2CC2)cc(-c2ccccc2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36
MDM2 Q00987 2/20 0.35
TP53 P04637 1/20 0.35
RIPK1 Q13546 4/20 0.34
PRCP P42785 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
KCNN4 O15554 2/20 0.32
P2RX7 Q99572 1/20 0.32
TSHR P16473 1/20 0.32
DPP4 P27487 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SCD5 Q86SK9 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL27769340 0.82 KCNN4 (0.37) MDM2ALDH1A1LMNAKCNN4TSHR
SCHEMBL27769329 0.81 ALDH1A1 (0.36) ALDH1A1LMNAKCNN4TSHRMAPK1
SCHEMBL27769320 0.80 KCNN4 (0.38) FABP4FABP5MDM2TP53ALDH1A1
SCHEMBL27748171 0.77 TRPV1 (0.36) TP53ALDH1A1LMNAKCNN4P2RX7
SCHEMBL27748142 0.75 KCNN4 (0.36) MDM2ALDH1A1LMNAKCNN4TSHR
SCHEMBL27925722 0.73 DHODH (0.39) ALDH1A1LMNAKCNN4TSHR
SCHEMBL27748148 0.72 KCNN4 (0.37) FABP4FABP5TP53ALDH1A1KCNN4
SCHEMBL16875759 0.70 DHODH (0.36) RIPK1ALDH1A1TSHRDPP4NFE2L2
SCHEMBL27925737 0.70 NPC1 (0.39) FABP4FABP5TP53ALDH1A1KCNN4
SCHEMBL27769338 0.69 ALDH1A1 (0.39) ALDH1A1LMNAKCNN4TSHR

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-101479250-B Tetrazole-substituted arylamides HOFFMANN LA ROCHE 2013-05-22 CN disclosed
CN-101479250-A Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed