SCHEMBL19625907

SCHEMBL19625907

CCCCCCc1nc2c3nc(CCCCCC)c(CCCCCC)nc3c3nc(CCCCCC)c(CCCCCC)nc3c2nc1CCCCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
DHFR P00374 1/20 0.40
GPR84 Q9NQS5 4/20 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
SCHEMBL18805407 0.84 TLR8 (0.41) KCNH2MEN1KMT2ATSHRGPR84
SCHEMBL13505896 0.82 KCNH2 (0.45) KCNH2MEN1KMT2ATSHRTHRB
SCHEMBL7775808 0.81 ALDH1A1 (0.38) KCNH2MEN1KMT2AALDH1A1PKM
SCHEMBL15967965 0.81 KCNH2 (0.46) KCNH2ALDH1A1DHFRGPR84
SCHEMBL14876721 0.81 ALDH1A1 (0.38) KCNH2MEN1KMT2AALDH1A1PKM
SCHEMBL621757 0.81 KCNH2 (0.46) KCNH2ALDH1A1DHFRGPR84
SCHEMBL14762926 0.81 KCNH2 (0.46) KCNH2ALDH1A1DHFRGPR84
SCHEMBL16204068 0.80 KCNH2 (0.36) KCNH2MEN1KMT2AALDH1A1PKM
SCHEMBL16204039 0.80 KCNH2 (0.40) KCNH2MEN1KMT2AALDH1A1GPR84
SCHEMBL5138095 0.77 HRH3 (0.41) KCNH2MEN1KMT2ATSHRTHRB

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
US-20170358767-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT Konica Minolta, Inc. (JP) 2017-12-14 US disclosed
US-20170338446-A1 Organic Electroluminescence Element MERCK PATENT GMBH (DE) 2017-11-23 US disclosed