SCHEMBL28031586

SCHEMBL28031586

Cc1cc2ccccc2n1C.O=C1NN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
CA12 O43570 1/20 0.48
BRD4 O60885 1/20 0.48
BRPF1 P55201 1/20 0.48
CA9 Q16790 1/20 0.48
KAT2B Q92831 1/20 0.48
BRD9 Q9H8M2 1/20 0.48
MCL1 Q07820 1/20 0.47
PABPC1 P11940 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 4/20 0.46
LMNA P02545 2/20 0.43
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 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
SCHEMBL29378766 0.88 KMT2A (0.55) DAOCA12BRD4BRPF1CA9
SCHEMBL154592 0.88 KMT2A (0.55) DAOCA12BRD4BRPF1CA9
Ammonia Solution, Strong SCHEMBL28142197 0.86 KMT2A (0.53) DAOCA12BRD4BRPF1CA9
Cyanide SCHEMBL6526282 0.82 KMT2A (0.50) DAOCA12BRD4BRPF1CA9
SCHEMBL27898683 0.81 DAO (0.47) DAOCA12BRD4BRPF1CA9
Formamide SCHEMBL8533326 0.81 DAO (0.47) DAOCA12BRD4BRPF1CA9
SCHEMBL5700702 0.81 KMT2A (0.53) DAOCA12BRD4BRPF1CA9
SCHEMBL1172151 0.81 KMT2A (0.53) DAOCA12BRD4BRPF1CA9
SCHEMBL29528615 0.81 KMT2A (0.53) DAOCA12BRD4BRPF1CA9
Formamide SCHEMBL29013060 0.80 DAO (0.46) DAOCA12BRD4BRPF1CA9

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-108341799-B Novel indole derivatives for the treatment of cancer, viral infections and lung diseases 生物控制术公司 2022-01-25 CN disclosed
CN-104854088-A Novel indole derivatives for the treatment of cancer, viral infections and lung diseases BIOKINESIS 2015-08-19 CN disclosed