SCHEMBL29893261

SCHEMBL29893261

Cc1cc(Cc2cc(C)c(N)c(C(C)C)c2)cc(C(C)C)c1N

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
THRB P10828 4/20 0.35
THRA P10827 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP7 P55210 1/20 0.34
HIF1A Q16665 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SHBG P04278 1/20 0.34

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
SCHEMBL15488 1.00 DHFR (0.37) DHFRALDH1A1TP53CYP3A4TSHR
SCHEMBL3870609 0.98 DHFR (0.36) DHFRALDH1A1TP53CYP3A4TSHR
SCHEMBL2941908 0.94 ALDH1A1 (0.39) DHFRALDH1A1TP53CYP3A4TSHR
SCHEMBL101727 0.87 DHFR (0.41) DHFRALDH1A1CYP3A4TSHRTDP1
SCHEMBL26330173 0.86 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL15287283 0.85 DHFR (0.40) DHFRTHRBPOLBGAAGFER
SCHEMBL31745236 0.84 GABRA1 (0.35) DHFRALDH1A1TP53CYP3A4TSHR
SCHEMBL21543376 0.84 GABRA1 (0.35) DHFRALDH1A1TP53CYP3A4TSHR
SCHEMBL23341814 0.81 GSR (0.58) ALDH1A1TP53CYP3A4TSHRTDP1
SCHEMBL14574952 0.81

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
US-12503546-B2 Curable polyurethane prepolymer composition URETHANE SYSTEMS USA LLC (US) 2025-12-23 US claimed
EP-4114876-A1 CURABLE POLYURETHANE PREPOLYMER COMPOSITION LANXESS Corporation (US) 2023-01-11 EP claimed
CN-115244096-A Curable polyurethane prepolymer compositions 朗盛公司 2022-10-25 CN claimed
EP-4409157-A1 POLYURETHANE BELT WITH IMPROVED HYDROLYSIS RESISTANCE Gates Corporation (US) 2024-08-07 EP disclosed
WO-2023139231-A1 RESIN COMPOSITION ARXADA AG (CH) 2023-07-27 WO disclosed
US-20230113475-A1 POLYURETHANE BELT WITH IMPROVED HYDROLYSIS RESISTANCE GATES CORP (US) 2023-04-13 US disclosed
WO-2023049083-A1 POLYURETHANE BELT WITH IMPROVED HYDROLYSIS RESISTANCE GATES CORPORATION (US) 2023-03-30 WO disclosed
EP-4114876-A1 CURABLE POLYURETHANE PREPOLYMER COMPOSITION LANXESS Corporation (US) 2023-01-11 EP disclosed
CN-115244096-A Curable polyurethane prepolymer compositions 朗盛公司 2022-10-25 CN disclosed