SCHEMBL19902047

SCHEMBL19902047

Cc1cccc(-c2cnn(-c3ccc(C#N)cc3)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.51
CYP11B1 P15538 1/20 0.51
GRM5 P41594 3/20 0.50
NTRK1 P04629 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK14 Q16539 1/20 0.40
KMT2A Q03164 2/20 0.39
NR3C1 P04150 1/20 0.39
PIN1 Q13526 1/20 0.38
AR P10275 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM1A O60341 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HPGD P15428 2/20 0.37
GRM4 Q14833 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL19928273 0.90 CYP11B1 (0.46) CYP11B2CYP11B1GRM5NTRK1FLT3
SCHEMBL19928291 0.87 CYP11B2 (0.43) CYP11B2CYP11B1GRM5NTRK1FLT3
SCHEMBL28734541 0.83 ALDH1A1 (0.48) CYP11B2CYP11B1GRM5HPGDMAPT
SCHEMBL19928288 0.83 GRM5 (0.50) CYP11B2CYP11B1GRM5GRM4
SCHEMBL16202060 0.83 GRM4 (0.52) KMT2AHPGDGRM4MAPTMEN1
SCHEMBL19928281 0.79 GRM5 (0.54) CYP11B2CYP11B1GRM5KMT2AGRM4
SCHEMBL1159675 0.78 ALDH1A1 (0.47) CYP11B2CYP11B1GRM5MAPTKDM4E
SCHEMBL182407 0.77 NPC1 (0.54) NTRK1FLT3MAPK14KMT2AHPGD
SCHEMBL19928285 0.77 GRM5 (0.51) CYP11B2CYP11B1GRM5KMT2AAXL
SCHEMBL6110387 0.76 AR (0.54) CYP11B2CYP11B1MAPK14ARKDM1A

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
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 US disclosed