SCHEMBL26535381

SCHEMBL26535381

C/C=C(\N=C/CC)c1nc2ccccc2c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.37
▸ GAA P10253 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ MAPT P10636 3/20 0.33
▸ LRRK2 Q5S007 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GLA P06280 2/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ DYRK2 Q92630 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL26535392 0.90 GPR3 (0.39) GPR3KDM4EGAAKMT2AALDH1A1
SCHEMBL26535362 0.86 GPR3 (0.43) GPR3KDM4EGAAKMT2AALDH1A1
SCHEMBL26533624 0.81 GPR3 (0.39) GPR3KDM4EGAAKMT2AALDH1A1
SCHEMBL26535603 0.74 GPR3 (0.38) GPR3KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL4121482 0.66 POLB (0.56) KDM4EGAAKMT2AALDH1A1HPGD
SCHEMBL3067398 0.65 ALDH1A1 (0.68) GPR3KDM4EKMT2AALDH1A1SMN1; SMN2
SCHEMBL28299251 0.65 ALDH1A1 (0.56) GPR3KDM4EGAAKMT2AALDH1A1
SCHEMBL28279288 0.63 MAP2K3 (0.53) GPR3KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL8573192 0.63 SMN1; SMN2 (0.52) GPR3KDM4EGAAKMT2AALDH1A1
SCHEMBL28342069 0.62 KDM4E (0.54) GPR3KDM4EKMT2AALDH1A1HPGD

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
WO-2023182835-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2023-09-28 — — WO disclosed
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