SCHEMBL27974045

SCHEMBL27974045

COc1cnc(-c2cc(F)c(C#N)c(F)c2)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.43
CYP11B2 P19099 4/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TRPV4 Q9HBA0 1/20 0.39
SQOR Q9Y6N5 2/20 0.39
EGLN2 Q96KS0 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ADORA1 P30542 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
SCHEMBL9506365 0.87 KDM4E (0.48) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL9511667 0.81 TRPV4 (0.42) CYP11B1CYP11B2TRPV4EGLN2
SCHEMBL27972344 0.81 GRIN1 (0.39) CYP11B1CYP11B2CYP1A2CYP3A4CYP2D6
SCHEMBL9511660 0.77 TRPV4 (0.39) CYP11B1CYP11B2KDM4ETRPV4EGLN2
SCHEMBL27974082 0.77 TRPV4 (0.39) CYP11B1CYP11B2KDM4ENPSR1TRPV4
SCHEMBL186585 0.77 TRPV4 (0.52) CYP11B1CYP11B2MEN1KMT2AKDM4E
SCHEMBL17053356 0.76 TRPV4 (0.38) CYP11B1CYP11B2MEN1KMT2ATRPV4
SCHEMBL9506392 0.76 CYP11B1 (0.49) CYP11B1CYP11B2KDM4ERAB9ANPC1
SCHEMBL9756905 0.75 CLK4 (0.47) CYP11B2TRPV4SQOREGLN2GRM5
SCHEMBL9506490 0.75 CYP11B1 (0.45) CYP11B1CYP11B2MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104327831-A Red light organic electrophosphorescent material, preparation method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-02-04 CN disclosed
CN-104327122-A Blue phosphorescent iridium metal complex and preparation method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-02-04 CN disclosed
CN-104327830-A Red light organic electrophosphorescent material, preparation method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-02-04 CN disclosed
CN-104327832-A Red light organic electrophosphorescent material, preparation method thereof and organic electroluminescent device OCEANS KING LIGHTING SCIENCE 2015-02-04 CN disclosed