SCHEMBL10567491

SCHEMBL10567491

O=C1C2=C(CCNC2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CDC25B P30305 2/20 0.46
PNMT P11086 1/20 0.41
CD44 P16070 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
APAF1 O14727 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
MAOA P21397 2/20 0.39
CES1 P23141 2/20 0.39
BLM P54132 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP2 O95551 2/20 0.39
CES2 O00748 1/20 0.39
TERT O14746 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL31629213 0.84 MEN1 (0.48) MEN1KMT2ACDC25BPOLBRAB9A
Anthraquinone SCHEMBL27788192 0.74 MEN1 (0.67) MEN1KMT2ACDC25BMAOBPOLB
SCHEMBL11734129 0.73 MAOB (0.41) PNMTCD44MAOBKDM4EMAPT
Phentydrone SCHEMBL875187 0.73 MEN1 (0.57) MEN1KMT2ACDC25BMAOBPOLB
SCHEMBL11724324 0.72 MAOB (0.39) PNMTCD44MAOBKDM4EMAOA
Anthraquinone SCHEMBL16429363 0.70 MEN1 (0.60) MEN1KMT2ACDC25BMAOBPOLB
Anthraquinone SCHEMBL11352939 0.70 MEN1 (0.60) MEN1KMT2ACDC25BMAOBPOLB
Anthraquinone SCHEMBL7915429 0.68 MEN1 (0.86) MEN1KMT2ACDC25BMAOBPOLB
Anthraquinone SCHEMBL1445042 0.68 MEN1 (0.86) MEN1KMT2ACDC25BMAOBPOLB
Phentydrone SCHEMBL9628384 0.68 MEN1 (0.50) MEN1KMT2ACDC25BPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4824852-A Substituted indole compounds which have useful effects on the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-25 US disclosed
US-4740602-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-26 US disclosed
EP-0206225-A2 Indole derivatives MERCK PATENT GmbH (DE) 1986-12-30 EP disclosed