SCHEMBL7573998

SCHEMBL7573998

CCCCCn1nc(C)sc1=S

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.34
MPO P05164 1/20 0.34
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
NR1H3 Q13133 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19608722 0.68 SLC9A1 (0.36) SLC9A1MPOALDH1A1GAAKDM4E
SCHEMBL1248798 0.67 ALDH1A1 (0.39) SLC9A1ALDH1A1GAAKDM4EMEN1
SCHEMBL6114514 0.63 GLS (0.60) PKMALDH1A1GAAKDM4ELMNA
SCHEMBL8873206 0.63 SLC9A1 (0.38) SLC9A1MPOALDH1A1GAAMEN1
SCHEMBL3261593 0.63 TLR8 (0.42)
SCHEMBL11454059 0.61 GLS (0.58) PKMALDH1A1GAAKDM4ELMNA
SCHEMBL16325249 0.61 SLC9A1 (0.38) SLC9A1MPOALDH1A1GAAKDM4E
SCHEMBL6115144 0.61 GLS (0.58) PKMALDH1A1GAAKDM4ELMNA
SCHEMBL1082365 0.61 TOP2A (0.40) ALDH1A1GAANR1H3MAPTTHRB
Hexane SCHEMBL5678842 0.56

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714903-B1 Carbohydrate conjugates as cell adhesion inhibitors GLYCOREX AB (SE) 2002-05-15 EP disclosed
US-5872111-A TOILET BAR SOAP, FACIAL BODY CLEANSER, SHAMPOO, CONDITIONER, COSMETIC,SHAVING CREAM OR LOTION, SHOWER GEL, FABRIC SOFTENING CONDITIONER, AND UNDERARM DEODORANT/ANTI-PERSPIRANT LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1999-02-16 US disclosed
US-5858994-A BIND TO SELECTIN RECEPTORS HOECHST AKTIENGESELLSCHAFT (DE) 1999-01-12 US disclosed
EP-0714903-A1 New carbohydrate conjugates as cell adhesion inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-05 EP disclosed
US-5521293-A Heteroatom containing alkyl aldonamide compounds as superior foaming, more soluble nonionic surfactants and a process for their manufacture LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-05-28 US disclosed