SCHEMBL28263371

SCHEMBL28263371

CCCCc1ccc(-c2ccc3c(c(N)c(N)c4ccccc43)c2-c2ccc(CCCC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
HSD11B1 P28845 2/20 0.38
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
DHODH Q02127 1/20 0.36
RARB P10826 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MPL P40238 2/20 0.34

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
SCHEMBL28136224 0.85 HSD11B1 (0.40) CTSVCTSLHSD11B1RAB9ASMN1; SMN2
SCHEMBL7075862 0.81 CTSV (0.45) CTSVCTSLHSD11B1RAB9ASMN1; SMN2
SCHEMBL7077143 0.81 CTSV (0.45) CTSVCTSLHSD11B1RAB9ASMN1; SMN2
SCHEMBL27979090 0.79 ADORA2A (0.39) RAB9ANPC1KDM4EMEN1KMT2A
SCHEMBL28150568 0.79 ALDH1A1 (0.36) SMN1; SMN2TSHRKDM4EALDH1A1MAPT
SCHEMBL30140861 0.79 ALDH1A1 (0.36) SMN1; SMN2TSHRKDM4EALDH1A1MAPT
SCHEMBL27937638 0.77 PDE9A (0.36) CTSVCTSLRAB9ASMN1; SMN2NPC1
SCHEMBL29906503 0.77 PDE9A (0.36) CTSVCTSLRAB9ASMN1; SMN2NPC1
SCHEMBL19410763 0.76 HSD11B1 (0.43) CTSVCTSLHSD11B1RAB9ASMN1; SMN2
SCHEMBL15391193 0.74 KDM4E (0.38) CTSVCTSLHSD11B1RAB9ASMN1; SMN2

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-109311844-A Triaizine compounds, its manufacturing method and the organic electroluminescent device as constituent 东曹株式会社 2019-02-05 CN disclosed
CN-105308026-B Cyclic azine compound, manufacturing method with adamantyl and using the compound as the organic electroluminescent device of constituent 东曹株式会社 2018-12-21 CN disclosed