SCHEMBL14804396

SCHEMBL14804396

Cc1nnc(-c2ccc(-c3nnc(C)n3C)cc2)n1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 3/20 0.46
AVPR1A P37288 1/20 0.45
HSD11B1 P28845 7/20 0.44
MEN1 O00255 2/20 0.42
CYP2C19 P33261 2/20 0.42
RAB9A P51151 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP1A2 P05177 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 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
SCHEMBL24484316 0.89 HPGD (0.42) ALDH1A1NPC1AVPR1AHSD11B1MEN1
SCHEMBL18912121 0.89 HSD11B1 (0.59) ALDH1A1HSD11B1KMT2AHTT
SCHEMBL889637 0.88 HSD11B1 (0.56) AVPR1AHSD11B1KMT2ADRD2
SCHEMBL1544493 0.86 SMN1; SMN2 (0.49) ALDH1A1MEN1CYP2C19KMT2AMAPT
SCHEMBL14006037 0.85 ALDH1A1 (0.51) ALDH1A1NPC1HSD11B1RAB9AHPGD
SCHEMBL23914162 0.85 OXTR (0.55) ALDH1A1NPC1AVPR1AMEN1CYP2C19
SCHEMBL15026023 0.84 HSD11B1 (0.36) ALDH1A1NPC1AVPR1AHSD11B1RAB9A
SCHEMBL24469863 0.84 CA2 (0.43) ALDH1A1NPC1AVPR1AHSD11B1
SCHEMBL14076998 0.84 HSD11B1 (0.49) ALDH1A1HSD11B1MEN1CYP2C19KMT2A
SCHEMBL14077063 0.84 CYP11B2 (0.51) ALDH1A1MAPT

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-8981354-B2 Organic light-emitting polymer and device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2015-03-17 US disclosed
US-20130146852-A1 ORGANIC LIGHT-EMITTING POLYMER AND DEVICE SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2013-06-13 US disclosed
US-20130075714-A1 POLYMER, POLYMER COMPOSITION AND ORGANIC LIGHT-EMITTING DEVICE SUMTOMO CHEMICAL COMPANY LIMITED (JP) 2013-03-28 US disclosed