SCHEMBL9702708

SCHEMBL9702708

N#Cc1c(C(=O)O)cc(-c2ccc(Cl)c(Cl)c2)n1O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.44
EIF4E P06730 8/20 0.43
KMO O15229 5/20 0.42
PPP1CA P62136 2/20 0.41
DHODH Q02127 1/20 0.37
TSHR P16473 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL9019065 0.82 RPA1 (0.41) RPA1EIF4EKMOPPP1CANOTUM
SCHEMBL9316754 0.67 AHR (0.38) RPA1EIF4EKMONOTUM
SCHEMBL10834339 0.66 RPA1 (0.49) RPA1NOTUM
SCHEMBL2225438 0.65 ALDH1A1 (0.57) RPA1EIF4ETSHR
SCHEMBL9019246 0.64 NPC1 (0.46) RPA1PPP1CATSHRNOTUM
SCHEMBL3542609 0.63 PTGER1 (0.56) EIF4E
SCHEMBL11521918 0.63 KMO (0.49) KMODHODHTSHR
SCHEMBL9316607 0.63 AHR (0.45) RPA1KMOTSHRNOTUM
SCHEMBL508503 0.62 TSHR (0.57) TSHRNOTUM
SCHEMBL27259909 0.62 AR (0.51) RPA1KMO

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
US-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed