SCHEMBL20923116

SCHEMBL20923116

N#Cc1cc(-c2ccccc2)c(-n2c3ccccc3c3ccc(C(F)(F)F)cc32)cc1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
METAP2 P50579 1/20 0.38
EPHX2 P34913 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SCN9A Q15858 2/20 0.34
SCN5A Q14524 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
MAT2A P31153 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
XDH P47989 1/20 0.33
ELANE P08246 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL20923119 0.97 METAP2 (0.39) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL20924028 0.96 KIF11 (0.39) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL20923118 0.94 METAP2 (0.38) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL19913204 0.93 KIF11 (0.41) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL19909074 0.93 KIF11 (0.41) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL20924014 0.93 METAP2 (0.39) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL20923278 0.91 S1PR1 (0.38) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL20923121 0.91 CYP19A1 (0.38) KIF11METAP2EPHX2CYP19A1CYP11B1
SCHEMBL20923274 0.91 METAP2 (0.36) METAP2EPHX2CYP11B1CYP11B2ALDH1A1
SCHEMBL20924021 0.90 METAP2 (0.38) KIF11METAP2EPHX2CYP19A1CYP11B1

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-3266772-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-04-24 EP disclosed