SCHEMBL9707162

SCHEMBL9707162

NCCCCCCCCCCCCSC1=C(SCCCCCCCCCCCCN)SC(=C2SC(SCCCCCCCCCCCCN)=C(SCCCCCCCCCCCCN)S2)S1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA5A P35218 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA5B Q9Y2D0 2/20 0.36
TSHR P16473 2/20 0.36
DNM1 Q05193 1/20 0.36
LMNA P02545 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 1/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 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
SCHEMBL14866093 0.80 MAPT (0.38) TSHRALDH1A1ESR1MAPTHPGD
SCHEMBL14866166 0.71 ALDH1A1 (0.36) TSHRLMNAALDH1A1ESR1MAPT
SCHEMBL14865927 0.64 ALDH1A1 (0.41) TSHRALDH1A1ESR1MAPTHPGD
SCHEMBL3355384 0.63 DNM1 (0.57) CA12CA1CA2CA3CA4
SCHEMBL3348447 0.63 DNM1 (0.57) CA12CA1CA2CA3CA4
SCHEMBL3346776 0.63 DNM1 (0.57) CA12CA1CA2CA3CA4
SCHEMBL3350152 0.63 DNM1 (0.57) CA12CA1CA2CA3CA4
SCHEMBL4203261 0.63 DNM1 (0.57) CA12CA1CA2CA3CA4
SCHEMBL3350257 0.63 DNM1 (0.57) CA12CA1CA2CA3CA4
Hydrochloric Acid SCHEMBL10808301 0.61 DNM1 (0.53) CA12CA1CA2CA3CA4

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
EP-0218422-B1 SEMICONDUCTOR LIGHT-EMITTING ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1992-09-16 EP disclosed
US-4819057-A METAL-ORGANIC FILMS-SEMICONDUCTOR JUNCTION KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-04 US disclosed
EP-0218422-A2 Semiconductor light-emitting element KABUSHIKI KAISHA TOSHIBA (JP) 1987-04-15 EP disclosed