SCHEMBL28811390

SCHEMBL28811390

O=S(=O)(Cc1ccccc1)Oc1cccc2ccccc12.[NaH]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
KCNA3 P22001 1/20 0.41
HTR1B P28222 3/20 0.41
HTR1D P28221 1/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 1/20 0.40
GPR84 Q9NQS5 1/20 0.40
FAAH O00519 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL1549000 0.98 KMT2A (0.56) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL27458209 0.84 CA2 (0.44) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL29974341 0.83 KMT2A (0.61) KMT2AALDH1A1HPGDHTTFAAH
SCHEMBL27864508 0.83 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL27317422 0.83 ALDH1A1 (0.46) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL1719111 0.82 CA2 (0.45) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL7221511 0.82 KMT2A (0.56) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL9244887 0.81 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL29898474 0.81 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1HPGDTDP1
SCHEMBL20184185 0.81 CA2 (0.44) KMT2AKDM4EALDH1A1HPGDTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103964728-A Novel cement hardening agent Huzhou zhongchen construction co ltd 2014-08-06 CN disclosed
CN-103876004-A Octyltrimethylammonium chloride synergistic baking powder LI XIANLAN 2014-06-25 CN disclosed
CN-103876003-A Dioctyl sodium sulfosuccinate crystal controlled bulking agent LI XIANLAN 2014-06-25 CN disclosed