SCHEMBL2175845

SCHEMBL2175845

c1ccc(-c2ccccc2-c2nccs2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.70
CYP2A6 P11509 1/20 0.52
PTGDR2 Q9Y5Y4 1/20 0.48
KDR P35968 1/20 0.44
RAB9A P51151 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ADRA1A P35348 2/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
ADRA2A P08913 1/20 0.41
SLC6A9 P48067 1/20 0.40
ADRB2 P07550 1/20 0.40
HPGD P15428 2/20 0.39
GRM5 P41594 1/20 0.39
KAT6A Q92794 1/20 0.38
SCN9A Q15858 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38

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
SCHEMBL5692672 0.89 PDPK1 (0.64) PDPK1CYP2A6PTGDR2KDRRAB9A
SCHEMBL1951149 0.87 PDPK1 (0.61) PDPK1CYP2A6PTGDR2KDRRAB9A
SCHEMBL28495166 0.85 PDPK1 (0.52) PDPK1CYP2A6PTGDR2RAB9ALOXL2
SCHEMBL28487238 0.85 PDPK1 (0.52) PDPK1CYP2A6PTGDR2RAB9ALOXL2
SCHEMBL8407091 0.85 PDPK1 (0.52) PDPK1CYP2A6PTGDR2KDRRAB9A
SCHEMBL9089977 0.85 PDPK1 (0.52) PDPK1CYP2A6PTGDR2RAB9ALOXL2
SCHEMBL29989379 0.85 PDPK1 (0.51) PDPK1CYP2A6PTGDR2KDRRAB9A
SCHEMBL26135624 0.84 PDPK1 (0.65) PDPK1CYP2A6PTGDR2KDRRAB9A
SCHEMBL28438620 0.83 PDPK1 (0.63) PDPK1CYP2A6PTGDR2KDRRAB9A
2-Phenylthiazole SCHEMBL70646 0.83 PDPK1 (1.00) PDPK1CYP2A6PTGDR2KDRRAB9A

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
CN-111316459-A Photoelectric conversion element and imaging device 索尼公司 2020-06-19 CN claimed
CN-111316459-A Photoelectric conversion element and imaging device 索尼公司 2020-06-19 CN disclosed
US-7973168-B2 Metallic compound and organic electroluminescence device comprising the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-07-05 US disclosed
CN-102002044-A Purine-8-ketone and thiazolopyrimidine derivatives, and preparation method and medicinal application thereof UNIV CHINA PHARMA 2011-04-06 CN disclosed
EP-0384980-A1 Process of manufacturing of a thermoplastic, processable and aromatic polyamide HÜLS AKTIENGESELLSCHAFT (DE) 1990-09-05 EP disclosed