SCHEMBL1953073

SCHEMBL1953073

BrSc1cccnc1SBr

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.35
KDM4E B2RXH2 7/20 0.34
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 4/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 2/20 0.32
ALOX15 P16050 2/20 0.32
HTT P42858 2/20 0.32
GMNN O75496 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MMP2 P08253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MMP9 P14780 1/20 0.32

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
SCHEMBL1952382 0.67 PKM (0.35) PKMKDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL1949514 0.67 PKM (0.39) PKMKDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL418597 0.67 KDM4E (0.38) PKMKDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL1950738 0.67 EHMT2 (0.36) PKMKDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL10833630 0.67 L3MBTL1 (0.47) KDM4EHPGDTSHRTDP1L3MBTL1
SCHEMBL2113502 0.67 PKM (0.35) PKMKDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL10834448 0.62 ALDH1A1 (0.45) KDM4EALDH1A1SMN1; SMN2HPGDCYP2C9
SCHEMBL19126068 0.62 ALDH1A1 (0.37) PKMKDM4EALDH1A1SMN1; SMN2THRB
SCHEMBL10986252 0.62
SCHEMBL8194 0.60 ALDH1A1 (0.67) KDM4EALDH1A1SMN1; SMN2CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198378-B2 Aromatic organosulfur functionalized 1,4-cis polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-12 US claimed
US-20110136956-A1 1,4-CIS-POLYBUTADIENE FUNCTIONALIZED WITH ORGANOSULFUR COMPOUND FOR PREPARATION OF GOLF BALL CORE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2011-06-09 US claimed
US-20090156751-A1 Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-06-18 US claimed
US-8552120-B2 Grafted and functionalized high 1,4-trans polybutadiene with aromatic organosulfur compound KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2013-10-08 US disclosed
US-8198378-B2 Aromatic organosulfur functionalized 1,4-cis polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2012-06-12 US disclosed
US-20110136956-A1 1,4-CIS-POLYBUTADIENE FUNCTIONALIZED WITH ORGANOSULFUR COMPOUND FOR PREPARATION OF GOLF BALL CORE KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2011-06-09 US disclosed
US-20100081770-A1 GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2010-04-01 US disclosed
US-20090156751-A1 Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) 2009-06-18 US disclosed