SCHEMBL11545484

SCHEMBL11545484

c1cc(-n2cnnc2)n[nH]1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 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
SCHEMBL31748329 0.71 KMT2A (0.32)
SCHEMBL4880326 0.70 NOTUM (0.44)
Pyridine SCHEMBL28013453 0.67 TSHR (0.33)
SCHEMBL13146364 0.67
SCHEMBL11433853 0.66 NOTUM (0.41) CYP1A2CYP2C9
SCHEMBL6614477 0.66 PIM1 (0.39) CYP1A2CYP2C9
SCHEMBL14750002 0.65 ALDH1A1 (0.40)
SCHEMBL28956840 0.65
SCHEMBL7167376 0.65 ALDH1A1 (0.41) CYP1A2
SCHEMBL20187362 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4169838-A PYRAZOLYLTRIAZOLE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-10-02 US disclosed
US-4169838-A PYRAZOLYLTRIAZOLE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1979-10-02 US disclosed
US-4115097-A Pyrazolyltriazole herbicides AMERICAN CYANAMID COMPANY (US) 1978-09-19 US disclosed
US-4115097-A Pyrazolyltriazole herbicides AMERICAN CYANAMID COMPANY (US) 1978-09-19 US disclosed