SCHEMBL9533927

SCHEMBL9533927

CCCCCNc1ccnn1CCCCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ SOAT1 P35610 4/20 0.39
▸ SOAT2 O75908 2/20 0.39
▸ SLC2A1 P11166 2/20 0.37
▸ SLC9A1 P19634 3/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ KCNH3 Q9ULD8 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL10335651 0.88 SLC9A1 (0.38) CYP1A2SLC9A1
SCHEMBL2816559 0.83 SLC9A1 (0.39) CYP1A2SLC9A1
SCHEMBL28822517 0.81 CYP1A2 (0.40) CYP1A2HRH4
SCHEMBL10376502 0.81 MAPK1 (0.40) SLC9A1
SCHEMBL9453099 0.81 SLC9A1 (0.38) CYP1A2SLC9A1
SCHEMBL9754298 0.78 SOAT1 (0.40) CYP1A2SOAT1SOAT2KCNH3
SCHEMBL27625405 0.77 CYP1A2 (0.44) CYP1A2SOAT1SOAT2HRH4
SCHEMBL14290764 0.75 CTSK (0.38) —
SCHEMBL9453146 0.73 SOAT1 (0.58) SOAT1SOAT2KCNH3
SCHEMBL11499176 0.73 SLC9A1 (0.42) CYP1A2SLC9A1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0232538-B1 5-ACYLAMIDO-1-ARYL PYRAZOLES BAYER AG (DE) 1990-05-23 — — EP claimed
EP-0301338-A1 1-Aryl pyrazoles BAYER AG (DE) 1989-02-01 — — EP claimed
EP-0295482-A1 Substituted 5-ethylamino-1-arylpyrazoles BAYER AG (DE) 1988-12-21 — — EP claimed
US-4734125-A 5-acylamido-1-aryl-pyrazoles, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US claimed
EP-0248315-A2 5-Acylamino pyrazole derivatives BAYER AG (DE) 1987-12-09 — — EP claimed
EP-0232538-A2 5-Acylamido-1-aryl pyrazoles BAYER AG (DE) 1987-08-19 — — EP claimed
EP-0257296-B1 4-CYANO(NITRO)-5-OXY(THIO)-PYRAZOLE DERIVATIVES BAYER AG (DE) 1993-05-12 — — EP disclosed
US-4931461-A Pesticidal substituted 5-methylamino-1-arylpyrazoles BAYER AKTIENGESELLSCHAFT (DE) 1990-06-05 — — US disclosed
EP-0232538-B1 5-ACYLAMIDO-1-ARYL PYRAZOLES BAYER AG (DE) 1990-05-23 — — EP disclosed
EP-0232538-B1 5-ACYLAMIDO-1-ARYL PYRAZOLES BAYER AG (DE) 1990-05-23 — — EP disclosed
US-4908377-A Pesticides BAYER AKTIENGESELLSCHAFT (DE) 1990-03-13 — — US disclosed
US-4863937-A 1-Arylpyrazoles, pesticidal compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 — — US disclosed
US-4814001-A PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-03-21 — — US disclosed
US-4734125-A 5-acylamido-1-aryl-pyrazoles, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US disclosed
US-4734125-A 5-acylamido-1-aryl-pyrazoles, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US disclosed
US-4734125-A 5-acylamido-1-aryl-pyrazoles, composition containing them and herbicidal method of using them BAYER AKTIENGESELLSCHAFT (DE) 1988-03-29 — — US disclosed
EP-0248315-A2 5-Acylamino pyrazole derivatives BAYER AG (DE) 1987-12-09 — — EP disclosed
EP-0232538-A2 5-Acylamido-1-aryl pyrazoles BAYER AG (DE) 1987-08-19 — — EP disclosed
EP-0232538-A2 5-Acylamido-1-aryl pyrazoles BAYER AG (DE) 1987-08-19 — — EP disclosed
EP-0232538-A2 5-Acylamido-1-aryl pyrazoles BAYER AG (DE) 1987-08-19 — — EP disclosed
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