SCHEMBL28091119

SCHEMBL28091119

ClC(Cl)(Cl)c1nc2ccccc2c2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ GPR3 P46089 3/20 0.48
▸ MAOA P21397 2/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ ATM Q13315 4/20 0.44
▸ GLA P06280 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ CCNB2 O95067 2/20 0.42
▸ CCNE2 O96020 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ CCND1 P24385 2/20 0.42
▸ CCNE1 P24864 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42

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
SCHEMBL28833010 0.82 KMT2A (0.39) KMT2AGPR3MAOAMAOBKDM4E
SCHEMBL28833015 0.82 KDM1A (0.43) KMT2AKDM4EALDH1A1ATMGLA
SCHEMBL11101886 0.79 MAOA (0.59) KMT2AGPR3MAOAMAOBKDM4E
SCHEMBL12142339 0.78 GPR3 (0.54) KMT2AGPR3MAOAMAOBKDM4E
SCHEMBL28865531 0.74 NQO2 (0.47) KMT2AKDM4EHPGDSMN1; SMN2NQO2
SCHEMBL5720410 0.73 MAOA (0.56) KMT2AGPR3MAOAMAOBKDM4E
SCHEMBL18869688 0.72 GPR3 (0.47) KMT2AGPR3MAOAMAOBKDM4E
SCHEMBL516091 0.70 TDP1 (0.59) KMT2AGPR3MAOAMAOBKDM4E
SCHEMBL19445500 0.68 GPR3 (0.58) KMT2AGPR3MAOAMAOBKDM4E
SCHEMBL6683074 0.67 CCNB2 (0.56) KMT2AMAOAMAOBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105859620-B 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2018-07-13 — — CN claimed
CN-105859620-A 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2016-08-17 — — CN claimed
CN-105859620-B 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2018-07-13 — — CN disclosed
CN-105859620-B 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2018-07-13 — — CN disclosed
CN-105859620-A 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2016-08-17 — — CN disclosed
CN-105859620-A 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2016-08-17 — — CN disclosed
CN-105859620-A 6-trichloromethyl phenanthridine compounds and preparation method and application thereof 大连理工大学 2016-08-17 — — CN disclosed
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