SCHEMBL11429310

SCHEMBL11429310

Cn1cc(-c2ccccc2)c(=O)c(-c2cccc(Sc3ccccc3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ BRD4 O60885 7/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ GCK P35557 1/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NSD2 O96028 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL11426202 0.88 RXRA (0.36) BRD4BCL2MCL1SMN1; SMN2CREBBP
SCHEMBL11426509 0.88 AKR1C3 (0.41) BRD4HSD17B10SMN1; SMN2CREBBPMAPT
SCHEMBL11441308 0.85 SMN1; SMN2 (0.35) MAOAMAOBBRD4BCL2MCL1
SCHEMBL11441378 0.82 BRD4 (0.43) BRD4HSD17B10SMN1; SMN2CREBBPKDM4E
SCHEMBL11441314 0.82 BRD4 (0.52) BRD4HSD17B10SMN1; SMN2CREBBPKDM4E
SCHEMBL11551948 0.81 BRD4 (0.40) MAOAMAOBBRD4HSD17B10SMN1; SMN2
SCHEMBL11434332 0.81 BRD4 (0.40) BRD4HSD17B10CREBBP
SCHEMBL11434522 0.80 CNR2 (0.43) MAOBBRD4SMN1; SMN2CREBBPMAPT
SCHEMBL11428954 0.79 EGFR (0.39) BRD4KDM4EALDH1A1TDP1L3MBTL1
SCHEMBL11547644 0.78 BRD4 (0.48) BRD4HSD17B10SMN1; SMN2CREBBPKDM4E

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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