SCHEMBL9718690

SCHEMBL9718690

O=S(=O)(O)c1ccc2nc[nH]c2c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35
CYP3A4 P08684 2/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
NT5C2 P49902 1/20 0.33
QPCT Q16769 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
CCNT1 O60563 1/20 0.33

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
SCHEMBL22468121 0.80 MAPK14 (0.35) MAPK14HDAC6SMN1; SMN2RAB9AKDM4E
SCHEMBL9718685 0.78 DPP4 (0.43) MAPK14HDAC6KDM4EALDH1A1HPGD
SCHEMBL3860255 0.76 ADORA3 (0.46) SMN1; SMN2RAB9AKDM4EALDH1A1HPGD
SCHEMBL28343825 0.74 HDAC6 (0.39) HDAC6KDM4EALDH1A1HPGDMAPT
SCHEMBL4749862 0.74 PARP1 (0.39) MAPK14SMN1; SMN2RAB9AKDM4EALDH1A1
SCHEMBL22468120 0.69 ALDH1A1 (0.36) MAPK14HDAC6SMN1; SMN2RAB9AKDM4E
SCHEMBL28147663 0.68 TSHR (0.40) HDAC6SMN1; SMN2ALDH1A1HPGDHTT
SCHEMBL20569781 0.68 PTGS2 (0.39) SMN1; SMN2ALDH1A1RCE1TSHR
SCHEMBL6389553 0.68 TYMP (0.46) KDM4EALDH1A1HPGDHTTMAPT
SCHEMBL22444090 0.67 MYC (0.40) SMN1; SMN2KDM4EALDH1A1HTTMAPT

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
US-5144081-A Sunscreen agents MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed