SCHEMBL8097072

SCHEMBL8097072

CCCc1ccc(F)c(F)c1C

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.35
F2RL1 P55085 3/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
RIPK1 Q13546 1/20 0.33
TYR P14679 2/20 0.32
PRKCI P41743 1/20 0.32
P2RX7 Q99572 3/20 0.31
HMGCR P04035 1/20 0.31
KCNH2 Q12809 1/20 0.30
ALOX5 P09917 1/20 0.30

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
SCHEMBL8089690 0.88 TYR (0.44) METAP2RIPK1TYRALOX5
SCHEMBL18364549 0.86 CTSL (0.37) METAP2CTSLCTSSCTSKTYR
SCHEMBL18184381 0.84 METAP2 (0.36) METAP2CTSLCTSSCTSKRIPK1
SCHEMBL13692432 0.83 TAAR1 (0.45)
SCHEMBL8097082 0.82 RIPK1 (0.38) METAP2RIPK1P2RX7
SCHEMBL10061129 0.82 RIPK1 (0.41) F2RL1CTSLCTSSCTSKRIPK1
SCHEMBL17369452 0.81 KCNH2 (0.39) F2RL1P2RX7KCNH2
SCHEMBL22336230 0.79 METAP2 (0.34) METAP2CTSLCTSSCTSKTYR
SCHEMBL18566713 0.77 P2RX7 (0.33) RIPK1P2RX7
SCHEMBL17369451 0.77 P2RX7 (0.36) CTSLCTSSCTSKRIPK1PRKCI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966076-A1 NOVEL TYROSINE KINASE INHIBITORS ChemBridge Corporation (US) 2016-01-13 EP disclosed
EP-2262807-B1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE CORP (US) 2015-08-12 EP disclosed
EP-1053990-A2 A method of producing an aromatic ketone and an aromatic ketone composition containing it TORAY INDUSTRIES, INC. (JP) 2000-11-22 EP disclosed