SCHEMBL11436445

SCHEMBL11436445

Cn1cc(-c2ccccc2)c(=O)c(-c2cc(F)ccc2I)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 4/20 0.36
▸ CHRM2 P08172 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ BRD4 O60885 3/20 0.36
▸ ATM Q13315 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PARK7 Q99497 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ AR P10275 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ RPS6KA3 P51812 1/20 0.32
▸ NSD2 O96028 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
SCHEMBL11428886 0.83 ALDH1A1 (0.36) CHRM3CHRM2CHRM1BRD4ATM
SCHEMBL11554969 0.82 BRD4 (0.43) BRD4MAPTLMNA
SCHEMBL11440224 0.81 HSD17B10 (0.41) BRD4LMNAHSD17B10
SCHEMBL11549462 0.81 HSD11B1 (0.45) BRD4ATMMAPTLMNA
SCHEMBL11426220 0.79 BRD4 (0.44) BRD4MAPTLMNABACE1HSD17B10
SCHEMBL11441314 0.78 BRD4 (0.52) BRD4MAPTLMNAHSD17B10CREBBP
SCHEMBL11550813 0.76 BRD4 (0.41) BRD4MAPTLMNAHSD17B10
SCHEMBL11434573 0.76 BRD4 (0.40) BRD4MAPT
SCHEMBL11547644 0.75 BRD4 (0.48) BRD4ATMMAPTLMNAHSD17B10
SCHEMBL11434332 0.75 BRD4 (0.40) BRD4HSD17B10CREBBP

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-4235619-A USING 3-PHENYL-4(1H)-PYRIDONES OR PYRIDINETHIONES ELI LILLY AND COMPANY (US) 1980-11-25 — — US disclosed
US-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 — — US disclosed
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