SCHEMBL29539680

SCHEMBL29539680

C(=Cc1nc2c(ccc3ccccc32)o1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 8/20 0.43
MAPT P10636 7/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 5/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 8/20 0.43
RAB9A P51151 8/20 0.43
MAPK1 P28482 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
UTRN P46939 2/20 0.40
GLA P06280 2/20 0.40
ATM Q13315 2/20 0.40
POLB P06746 2/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL1643210 1.00 ELANE (0.51) ELANETDP1KDM4EMAPTALDH1A1
SCHEMBL1086730 1.00 ELANE (0.51) ELANETDP1KDM4EMAPTALDH1A1
Thiophene SCHEMBL28940616 0.92 ELANE (0.45) ELANETDP1KDM4EMAPTALDH1A1
SCHEMBL318266 0.88 TDP1 (0.44) ELANETDP1KDM4EMAPTALDH1A1
SCHEMBL318267 0.88 TDP1 (0.44) ELANETDP1KDM4EMAPTALDH1A1
SCHEMBL9195606 0.85 S100A4 (0.52) TDP1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL9195611 0.85 S100A4 (0.52) TDP1KDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL19135635 0.81 NPC1 (0.49) ELANETDP1KDM4EMAPTALDH1A1
SCHEMBL7469479 0.80 TDP1 (0.48) ELANETDP1KDM4EMAPTALDH1A1
SCHEMBL7469477 0.80 TDP1 (0.48) ELANETDP1KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188386-A1 ALKYLBENZENESULFONATE SURFACTANTS PROCTER & GAMBLE (US) 2025-06-12 US disclosed
CN-119968452-A Perfume mixture (VI) 西姆莱斯股份公司 2025-05-09 CN disclosed
CN-119790128-A Perfume mixture (III) 西姆莱斯股份公司 2025-04-08 CN disclosed
CN-119317695-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN disclosed
CN-119317696-A Perfume mixture (V) 西姆莱斯股份公司 2025-01-14 CN disclosed
CN-119255980-A Perfume with cyclopropyl structure 西姆莱斯股份公司 2025-01-03 CN disclosed
CN-118159632-A Perfume and perfume mixture 西姆莱斯股份公司 2024-06-07 CN disclosed
EP-4048767-A1 LAUNDRY POWDER DETERGENT COMPOSITION Clariant International Ltd (CH) 2022-08-31 EP disclosed
CN-114728254-A Polyurea microcapsules and liquid surfactant system containing the same 西姆莱斯股份公司 2022-07-08 CN disclosed
CN-114667335-A Improved alkylbenzene sulfonate surfactants 宝洁公司 2022-06-24 CN disclosed
CN-114364773-A Aromatic oil mixture 西姆莱斯股份公司 2022-04-15 CN disclosed