SCHEMBL11286481

SCHEMBL11286481

CCCc1cc2cc(N)ccc2c(CCC)c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.35
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SREBF2 Q12772 1/20 0.33
▸ TERT O14746 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ GAA P10253 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NSD2 O96028 1/20 0.31
▸ DUSP3 P51452 1/20 0.31
▸ PTPN5 P54829 1/20 0.31

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
SCHEMBL11281993 0.87 TLR8 (0.37) SRCTLR8TLR7KDM4EHSD17B10
SCHEMBL3804549 0.73 NOS2 (0.36) KDM4EALDH1A1GAAHPGDPTPN11
SCHEMBL3802566 0.69 HTT (0.39) KDM4EALDH1A1PTPN11NOS2POLB
SCHEMBL840292 0.69 NOS2 (0.33) KDM4EHSD17B10ALDH1A1NOS2CASP7
SCHEMBL17505183 0.68 KDM4E (0.50) KDM4EHSD17B10ALDH1A1GAAHPGD
SCHEMBL28521770 0.68 HTR2A (0.39) KDM4EHSD17B10ALDH1A1GAACYP3A4
SCHEMBL3801329 0.68 KDM4E (0.39) KDM4EALDH1A1NOS2POLBHTT
SCHEMBL4576433 0.68 PRKCI (0.44) TLR8TLR7KDM4EMEN1KMT2A
SCHEMBL11700431 0.68 NOS2 (0.39) KDM4EALDH1A1GAAHPGDNOS2
SCHEMBL23050191 0.67 GAA (0.38) SRCTLR8TLR7KDM4EMEN1

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
EP-0055043-A2 6,7,8,9-Tetrahydro-3H-benz(e)indolamine derivatives, processes for their preparation and intermediates used therein, and pharmaceutical compositions containing the indolamine derivatives AYERST, MCKENNA AND HARRISON INC. (CA) 1982-06-30 — — EP disclosed
Send feedback