SCHEMBL21240988

SCHEMBL21240988

Cc1ccnc(-c2conn2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.63
▸ CCR5 P51681 2/20 0.63
▸ CCR8 P51685 2/20 0.63
▸ METAP2 P50579 1/20 0.46
▸ CYP2A6 P11509 1/20 0.42
▸ UHRF1 Q96T88 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NOS3 P29474 1/20 0.39
▸ NOS1 P29475 1/20 0.39
▸ NOS2 P35228 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.35
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33

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
SCHEMBL181893 0.79 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL29397106 0.79 CCR1 (1.00) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL31482988 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL31482991 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL32670845 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
Hydrochloric Acid SCHEMBL9639295 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
Hydrochloric Acid SCHEMBL5549447 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL2258309 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL6820852 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6
SCHEMBL6820765 0.77 CCR1 (0.94) CCR1CCR5CCR8METAP2CYP2A6

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
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