SCHEMBL16215329

SCHEMBL16215329

Cc1ccc(-c2cc(F)c(C#N)c(F)c2)nc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
CCR1 P32246 1/20 0.47
CCR5 P51681 1/20 0.47
CCR8 P51685 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2A6 P11509 1/20 0.42
PTGS2 P35354 2/20 0.42
EGLN2 Q96KS0 2/20 0.40
TRPV4 Q9HBA0 1/20 0.39
MET P08581 1/20 0.37
METAP2 P50579 1/20 0.37
TGFBR1 P36897 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
SCHEMBL15773584 0.84 GRM5 (0.38) GRM5CCR1CCR5CCR8HDAC6
SCHEMBL9151348 0.81 CYP11B2 (0.66) CYP11B1CYP11B2
SCHEMBL15605539 0.79 CYP11B2 (0.40) GRM5CCR1CCR5CCR8HDAC6
SCHEMBL9511667 0.78 TRPV4 (0.42) CYP11B1CYP11B2EGLN2TRPV4
SCHEMBL13483666 0.76 CCR1 (0.71) GRM5CCR1CCR5CCR8HDAC6
SCHEMBL19243068 0.76 CCR1 (0.54) CCR1CCR5CCR8HDAC6CYP11B1
SCHEMBL12012492 0.75 TRPV4 (0.47) CYP11B1CYP11B2CYP2A6EGLN2TRPV4
SCHEMBL14681239 0.75 CCR1 (0.48) GRM5CCR1CCR5CCR8HDAC6
SCHEMBL9506490 0.75 CYP11B1 (0.45) CYP11B1CYP11B2EGLN2TRPV4
SCHEMBL24137558 0.75 CCR1 (0.52) GRM5CCR1CCR5CCR8HDAC6

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-2799516-A1 LIQUID CRYSTAL MATERIAL OF SMECTIC PHASE IN HIGH SCATTERING STATE AND DISPLAY DEVICE THEREOF Halation Photonics Corporation (CN) 2014-11-05 EP disclosed