SCHEMBL21241075

SCHEMBL21241075

Cc1cc(F)nn1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL2622408 0.76 LMNA (0.40) CYP1A2POLBCYP2C19MAPTLMNA
SCHEMBL12419716 0.74 NOS3 (0.34) CYP1A2POLBCYP2C19
SCHEMBL24117727 0.74 KDM4E (0.33) CYP1A2POLBCYP2C19MAPT
SCHEMBL19635048 0.73 CYP1A2 (0.32) CYP1A2POLBCYP2C19
SCHEMBL2817008 0.73 PIK3CG (0.38) CYP1A2POLBCYP2C19
SCHEMBL23403686 0.73 KDM4E (0.32) CYP1A2POLBCYP2C19LMNA
SCHEMBL28930726 0.73 CYP1A2 (0.35) CYP1A2POLBCYP2C19
SCHEMBL22952625 0.72 MAP3K12 (0.34)
SCHEMBL9198090 0.72 KDM4E (0.39) CYP1A2POLBCYP2C19MAPTLMNA
SCHEMBL19452835 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed