SCHEMBL30839725

SCHEMBL30839725

Nc1cc(Cl)cc(-c2cccc(Cl)c2N)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RORB Q92753 1/20 0.36
PLA2G7 Q13093 1/20 0.36
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDO2 P48775 1/20 0.33
CYP2A6 P11509 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
DHFR P00374 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAOA P21397 1/20 0.32
BACE1 P56817 1/20 0.32
IKBKE Q14164 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 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
SCHEMBL27185980 1.00 CYP3A4 (0.43) CYP3A4TP53ALDH1A1RORBPLA2G7
Hydrochloric Acid SCHEMBL27658331 0.79 TDO2 (0.49) ALDH1A1RORBTDO2CYP2A6DHFR
SCHEMBL30839807 0.75 TSHR (0.46) ALDH1A1PLA2G7CYP1A2CYP2A6MAOA
SCHEMBL16347053 0.75 TSHR (0.46) ALDH1A1PLA2G7CYP1A2CYP2A6MAOA
SCHEMBL29448430 0.74 CYP2A6 (0.62) ALDH1A1CSNK2A1CYP2A6MAP4K4
SCHEMBL4736942 0.74 CYP2A6 (0.62) ALDH1A1CSNK2A1CYP2A6MAP4K4
SCHEMBL2497910 0.73 AHR (0.52) CYP3A4ALDH1A1RORBCYP1A2DHFR
SCHEMBL2493688 0.73 ALOX5AP (0.44) BACE1
Hydrochloric Acid SCHEMBL28868990 0.72 CYP2A6 (0.60) ALDH1A1CSNK2A1CYP2A6MAP4K4
SCHEMBL2809035 0.72 CYP3A4 (0.71) CYP3A4TP53ALDH1A1ASIC3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP claimed
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN claimed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO claimed
EP-4594381-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE Ingevity UK Ltd (GB) 2025-08-06 EP disclosed
CN-120092033-A Novel polyurethane or polyurethane-urea compositions with enhanced low temperature properties 英格维蒂英国有限公司 2025-06-03 CN disclosed
WO-2024068129-A1 NOVEL POLYURETHANE OR POLYURETHANE-UREA COMPOSITION WITH ENHANCED LOW TEMPERATURE PERFORMANCE INGEVITY UK LTD. (GB) 2024-04-04 WO disclosed