SCHEMBL10531985

SCHEMBL10531985

Cc1cnc2c(-c3nc[nH]n3)c(Cl)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.49
▸ CCR5 P51681 2/20 0.49
▸ CCR8 P51685 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.38
▸ PSMD14 O00487 1/20 0.38
▸ COPS5 Q92905 1/20 0.38
▸ PARP1 P09874 1/20 0.34
▸ SLC40A1 Q9NP59 3/20 0.34
▸ NFKBIA P25963 1/20 0.34
▸ CYP1A2 P05177 1/20 0.32

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
SCHEMBL6888604 0.72 CCR1 (0.67) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL29890061 0.72 CCR1 (0.67) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL8838409 0.72 CCR1 (0.67) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL10755903 0.70 CYP1A2 (0.36) CCR1CCR5CCR8CYP1A2
SCHEMBL22326612 0.69 CCR1 (0.62) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL686948 0.69 CCR1 (1.00) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL30492603 0.69 CCR1 (1.00) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL10529448 0.69 CCR1 (0.47) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL27891657 0.68 CCR1 (0.60) CCR1CCR5CCR8KDM4EPSMD14
SCHEMBL15077330 0.67 CCR1 (0.58) CCR1CCR5CCR8KDM4EPSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4797148-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1989-01-10 — — US disclosed
EP-0224823-A2 Quinoline derivatives and their use in combating unwanted plant growth BASF Aktiengesellschaft (DE) 1987-06-10 — — EP disclosed
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