SCHEMBL28511751

SCHEMBL28511751

Brc1ccc2nn(-c3ccc(-c4cncc5ccccc45)cc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.48
CYP11B2 P19099 10/20 0.41
CYP11B1 P15538 9/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2B6 P20813 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
STAT1 P42224 1/20 0.40
RAB9A P51151 1/20 0.40
ROCK2 O75116 1/20 0.38
NAMPT P43490 1/20 0.38
CCNC P24863 2/20 0.38

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
SCHEMBL19655481 0.86 PRKCZ (0.49) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17812840 0.83 PRKCZ (0.46) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17812839 0.82 CYP11B1 (0.47) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17812841 0.81 PRKCZ (0.44) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17805233 0.81 PRKCZ (0.43) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL30640166 0.81 PRKCZ (0.43) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17805255 0.81 PRKCZ (0.43) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17812838 0.81 PRKCZ (0.43) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17812851 0.81 PRKCZ (0.43) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9
SCHEMBL17805218 0.79 PRKCZ (0.41) PRKCZCYP11B2CYP11B1CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112079814-B Benzotriazole derivative and organic electroluminescent device 保土谷化学工业株式会社 2023-11-07 CN disclosed
CN-112079814-A Benzotriazole derivative and organic electroluminescent device 保土谷化学工业株式会社 2020-12-15 CN disclosed