SCHEMBL18166340

SCHEMBL18166340

Cc1ccc(-c2cc(OC(=O)NC(C)c3ccncc3)cc(-n3nnnc3C(C)C)c2)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
CNR1 P21554 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
KMT2A Q03164 2/20 0.32
ALOX5 P09917 1/20 0.32
MEN1 O00255 1/20 0.32
LIMK1 P53667 2/20 0.31
LIMK2 P53671 1/20 0.31
RPS6KA5 O75582 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CDK2 P24941 1/20 0.31
MAPK1 P28482 1/20 0.31
AKT1 P31749 1/20 0.31
AKT2 P31751 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL18166375 0.91 P2RX3 (0.35) ALDH1A1MAPTP2RX3P2RX2ROCK1
SCHEMBL18166394 0.90 ROCK1 (0.38) LMNAP2RX3P2RX2KMT2ARPS6KA5
SCHEMBL18166271 0.87 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL10244883 0.87 P2RX3 (0.46) LMNAALDH1A1MAPTCNR1P2RX3
SCHEMBL18166288 0.86 P2RX3 (0.37) ALDH1A1CNR1P2RX3P2RX2MAPK1
SCHEMBL18036329 0.86 P2RX3 (0.33) LMNAMAPTP2RX3P2RX2KMT2A
SCHEMBL18036352 0.86 P2RX3 (0.33) LMNAMAPTP2RX3P2RX2KMT2A
SCHEMBL18036373 0.84 DGAT2 (0.32) LMNAMAPTKMT2AMEN1TP53
SCHEMBL18166460 0.82 AKR1C3 (0.38) ALDH1A1P2RX3P2RX2RPS6KA5PRKACA
SCHEMBL18166279 0.79 P2RX3 (0.42) LMNAMAPTP2RX3P2RX2ALOX5

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
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed