SCHEMBL31070976

SCHEMBL31070976

c1csc(-c2scc(-c3ccc4c(c3)Cc3ccccc3-4)c2-c2ccc3c(c2)Cc2ccccc2-3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.45
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDR P35968 1/20 0.39
PDK2 Q15119 1/20 0.39
SRD5A2 P31213 1/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL14322894 0.82 PDK2 (0.52) ADORA1MAPTKDM4EALDH1A1NPC1
SCHEMBL29726003 0.79 GSTP1 (0.41) ADORA1MAPTKDM4EALDH1A1NPC1
SCHEMBL6036199 0.78 RPS6KB2 (0.40) ADORA1MAPTKDM4EALDH1A1NPC1
SCHEMBL6036221 0.78 RPS6KB2 (0.40) ADORA1MAPTKDM4EALDH1A1NPC1
SCHEMBL31358816 0.76 ADORA1 (0.55) ADORA1MAPTKDM4EPDK2CYP3A4
SCHEMBL2238249 0.76 ADORA1 (0.55) ADORA1MAPTKDM4EPDK2CYP3A4
SCHEMBL28178487 0.75 ALDH1A1 (0.59) MAPTKDM4EALDH1A1NPC1LMNA
SCHEMBL30535823 0.75 ALDH1A1 (0.59) MAPTKDM4EALDH1A1NPC1LMNA
SCHEMBL29940854 0.75 ALOX5 (0.40) ADORA1MAPTKDM4EALDH1A1NPC1
SCHEMBL29726009 0.75 ALDH1A1 (0.40) ADORA1MAPTKDM4EALDH1A1NPC1

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
CN-118575604-A Photoelectric conversion element, photodetector, and electronic device 索尼半导体解决方案公司 2024-08-30 CN disclosed