SCHEMBL31595960

SCHEMBL31595960

Brc1ccc2ccncc2c1.[N]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
PRKCZ Q05513 1/20 0.48
CYP2A6 P11509 1/20 0.48
CDK9 P50750 2/20 0.43
PIM1 P11309 2/20 0.43
HASPIN Q8TF76 2/20 0.43
CCNT1 O60563 1/20 0.43
MELK Q14680 1/20 0.43
GSK3A P49840 1/20 0.42
CDK5 Q00535 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
CHUK O15111 1/20 0.42
IMPDH2 P12268 1/20 0.41
CYP19A1 P11511 1/20 0.41
TBXAS1 P24557 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL692484 0.98 CYP11B1 (0.52) CYP11B1CYP11B2PRKCZCYP2A6CDK9
SCHEMBL30368907 0.98 CYP11B1 (0.52) CYP11B1CYP11B2PRKCZCYP2A6CDK9
Hydrochloric Acid SCHEMBL2241644 0.96 CYP11B1 (0.50) CYP11B1CYP11B2PRKCZCYP2A6CDK9
SCHEMBL29547785 0.89 CYP11B1 (0.56) CYP11B1CYP11B2PRKCZCYP2A6CDK9
SCHEMBL484716 0.89 CYP11B1 (0.56) CYP11B1CYP11B2PRKCZCYP2A6CDK9
Water SCHEMBL28177305 0.87 CYP11B1 (0.55) CYP11B1CYP11B2PRKCZCYP2A6CDK9
Ammonia Solution, Strong SCHEMBL27725592 0.87 CYP11B1 (0.55) CYP11B1CYP11B2PRKCZCYP2A6CDK9
Biphenyl SCHEMBL27880420 0.79 CYP11B1 (0.60) CYP11B1CYP11B2PRKCZCYP2A6CDK9
Formic Acid SCHEMBL28223024 0.79 CYP11B1 (0.47) CYP11B1CYP11B2CYP2A6CDK9HASPIN
SCHEMBL28455526 0.78 HIPK2 (0.53) CYP11B1CYP11B2CYP2A6CDK9GSK3A

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-120058605-A Synthesis method of nitrogen ortho-substituted aryl ether of nitrogen-containing heterocycle 新疆大学 2025-05-30 CN claimed
CN-120058605-A Synthesis method of nitrogen ortho-substituted aryl ether of nitrogen-containing heterocycle 新疆大学 2025-05-30 CN disclosed