SCHEMBL22805391

SCHEMBL22805391

Oc1ccc(SSc2ccc(O)cn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
EHMT2 Q96KQ7 1/20 0.39
EHMT1 Q9H9B1 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
CYP3A4 P08684 3/20 0.35
HIF1A Q16665 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CA12 O43570 1/20 0.35
GMNN O75496 1/20 0.35
CA1 P00915 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
SCHEMBL28571686 0.85 EHMT2 (0.65) HSD17B10ALDH1A1HPGDCYP1A2CYP2C9
SCHEMBL851526 0.80
SCHEMBL30288419 0.80
SCHEMBL850711 0.75 CHRNB2 (0.42) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL15633074 0.73 DDB1 (0.33) CYP1A2MEN1KMT2ADEGS1
SCHEMBL13535000 0.72 KDM4E (0.47) HSD17B10ALDH1A1CYP3A4HIF1ANPC1
SCHEMBL1268799 0.71 ESR1 (0.41) ALDH1A1HPGDMEN1NPC1RAB9A
SCHEMBL851197 0.71 PDGFRB (0.39) ALDH1A1HIF1AKMT2AKDM4ETDP1
SCHEMBL30958843 0.69 CCR1 (0.46) HSD17B10ALDH1A1HPGDCYP3A4HIF1A
SCHEMBL174894 0.69

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
WO-2020254638-A1 POLYMERIZATION PROCESS FOR PRODUCTION OF POLYDISULFIDE AARHUS UNIVERSITET (DK) 2020-12-24 WO claimed
WO-2020254638-A1 POLYMERIZATION PROCESS FOR PRODUCTION OF POLYDISULFIDE AARHUS UNIVERSITET (DK) 2020-12-24 WO disclosed