SCHEMBL8764624

SCHEMBL8764624

CSc1cc(Cc2cc(SC)c(N)c(SC)c2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 3/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
POLB P06746 1/20 0.42
CDC25B P30305 1/20 0.38
CASP6 P55212 1/20 0.38
RCE1 Q9Y256 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.34
APOBEC3G Q9HC16 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
CYP17A1 P05093 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
SCHEMBL8765289 1.00 ALDH1A1 (0.43) ALDH1A1GAAKDM4EMAPTRAB9A
SCHEMBL10943765 0.92 ALDH1A1 (0.48) ALDH1A1GAAKDM4EMAPTRAB9A
SCHEMBL9799468 0.88 ALDH1A1 (0.40) ALDH1A1GAAKDM4EMAPTRAB9A
SCHEMBL8763541 0.86 ALDH1A1 (0.31) ALDH1A1GAACYP3A4TSHRTDP1
SCHEMBL11896057 0.79 SLC6A2 (0.40) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL10876001 0.79 LOXL2 (0.39) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL11896102 0.76 SKP2 (0.46) ALDH1A1GAAMAPTRAB9AMEN1
SCHEMBL20091810 0.74 ALDH1A1 (0.39) ALDH1A1GAAKDM4EMAPTRAB9A
SCHEMBL11529316 0.72 CYP3A4 (0.48) ALDH1A1GAAKDM4EMAPTRAB9A
SCHEMBL9578966 0.71 LOXL2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635034-B1 POLYURETHANE ELASTOMER AND NON-PNEUMATIC TIRE FABRICATED THEREFROM UNIROYAL CHEM CO INC (US) 1997-07-30 EP claimed
EP-0193872-B1 DI(ALKYLTHIO) DIAMINE CHAIN EXTENDERS FOR POLYURETHANE ELASTOMERS ETHYL CORPORATION (US) 1993-03-31 EP disclosed
EP-0228190-B1 RIM POLYURETHANES COMPRISING MIXED DIAMINE CHAIN EXTENDERS AND PROCESS AND COMPOSITION FOR THEIR PRODUCTION ETHYL CORPORATION (US) 1991-02-27 EP disclosed
EP-0289870-A2 Epoxy resin compositions ETHYL CORPORATION (US) 1988-11-09 EP disclosed
US-4757119-A Diamine curing agent ETHYL CORPORATION (US) 1988-07-12 US disclosed
EP-0228190-A2 RIM polyurethanes comprising mixed diamine chain extenders and process and composition for their production ETHYL CORPORATION (US) 1987-07-08 EP disclosed
US-4631298-A REACTION INJECTION MOLDING POLYURETHANES ETHYL CORPORATION (US) 1986-12-23 US disclosed
EP-0193872-A2 Di(alkylthio) diamine chain extenders for polyurethane elastomers ETHYL CORPORATION (US) 1986-09-10 EP disclosed
US-4595742-A Formed by reacting polyisocyanate, an organic active hydrogen group containing compound, and a chain extender comprising an aromatic diamine ETHYL CORPORATION (US) 1986-06-17 US disclosed