Sugi Predict

Sugi Predict / Compounds / SCHEMBL19918665

SCHEMBL19918665

SCHEMBL19918665

c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc(-c6ccc7sc8cc9c%10c(cccc%10c8c7c6)-c6ccccc6-9)ccc54)n3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ HIF1A Q16665 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ LIMK1 P53667 1/20 0.30
▸ CHEK1 O14757 1/20 0.30
▸ WEE1 P30291 1/20 0.30

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
SCHEMBL19918674 0.99 ALDH1A1 (0.31) TSPOPIM3ALDH1A1HPGDTSHR
SCHEMBL24030677 0.95 ALDH1A1 (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19918672 0.92 L3MBTL1 (0.33) TSPOALDH1A1HPGDTSHRMAPK1
SCHEMBL19918671 0.92 TSPO (0.31) TSPOPIM3L3MBTL1
SCHEMBL19918673 0.91 CHEK2 (0.30) —
SCHEMBL19918669 0.90 TUBB4A (0.32) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19918676 0.90 KDM4E (0.32) PIM3L3MBTL1
SCHEMBL19918675 0.90 — —
SCHEMBL19918666 0.90 ALDH1A1 (0.33) ALDH1A1HPGDTSHRMAPK1CASP1
SCHEMBL19918668 0.90 RAC2 (0.30) —

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
WO-2018038400-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING SAME 주식회사 두산 2018-03-01 — — WO disclosed