SCHEMBL11080390

SCHEMBL11080390

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCSCC3)nc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.78
▸ CYP2C9 P11712 1/20 0.78
▸ ATP6V1B2 P21281 1/20 0.78
▸ TBXA2R P21731 1/20 0.78
▸ EDNRA P25101 1/20 0.78
▸ TARBP2 Q15633 1/20 0.78
▸ CASP1 P29466 1/20 0.52
▸ KDM4E B2RXH2 6/20 0.51
▸ HSD17B10 Q99714 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ HPGD P15428 5/20 0.51
▸ KMT2A Q03164 5/20 0.50
▸ MEN1 O00255 4/20 0.50
▸ DRD3 P35462 1/20 0.50
▸ ABCC4 O15439 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ TSHR P16473 2/20 0.49
▸ BRD4 O60885 1/20 0.49
▸ HTT P42858 1/20 0.49

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
SCHEMBL11085282 0.94 LMNA (0.72) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11153426 0.90 LMNA (0.82) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10028900 0.89 LMNA (0.81) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL4904141 0.88 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8044673 0.88 LMNA (0.79) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL2635855 0.88 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL33963 0.88 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL29384458 0.88 LMNA (1.00) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL11289413 0.87 LMNA (0.98) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Enoxacin SCHEMBL28451325 0.87 LMNA (0.98) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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-4477449-A DERIVATIVES OF 3-CARBOXY, 4-OXO, 7-/3-THIAZOLIDINYL OR 4-THIAZINYL-1,4-DIHYDRO-1,8-NAPHTHYRINE WARNER-LAMBERT COMPANY (US) 1984-10-16 — — US claimed
US-4477449-A DERIVATIVES OF 3-CARBOXY, 4-OXO, 7-/3-THIAZOLIDINYL OR 4-THIAZINYL-1,4-DIHYDRO-1,8-NAPHTHYRINE WARNER-LAMBERT COMPANY (US) 1984-10-16 — — US disclosed
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