SCHEMBL11196685

SCHEMBL11196685

CC(=O)Nc1nc2cc(OC(=O)Cc3ccccc3)ccc2n1S(=O)(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ NOD1 Q9Y239 3/20 0.41
▸ KMT2A Q03164 4/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ BRAF P15056 4/20 0.38
▸ POLB P06746 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL11203356 0.72 L3MBTL1 (0.42) CA2KMT2AHPGD
SCHEMBL11152075 0.66 PI4KB (0.46) CYP1A2CYP2C9CYP2C19NOD1KMT2A
SCHEMBL11248311 0.66 NOD1 (0.42) CYP1A2CYP2C9CYP2C19NOD1KMT2A
SCHEMBL11036862 0.63 PLA2G4A (0.47) KMT2AKDM4EHPGD
SCHEMBL7924874 0.62 CA2 (0.83) CA2
Acetic Acid SCHEMBL28237236 0.62 CYP19A1 (0.69) KMT2AHPGD
SCHEMBL5293036 0.62 TSHR (0.53) KMT2AHPGD
SCHEMBL9106990 0.62 SMN1; SMN2 (0.59) CA2KMT2AHPGD
Hydrochloric Acid SCHEMBL11631325 0.61 KMT2A (0.50) KMT2AKDM4E
SCHEMBL7339708 0.61 PLAU (0.60) CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4401817-A ANTIVIRAL AGENTS ELI LILLY AND COMPANY (US) 1983-08-30 — — US disclosed
US-4338329-A COMBATTING RHINOVIRUSES ELI LILLY AND COMPANY (US) 1982-07-06 — — US disclosed
US-4289782-A PARTICULARLY FOR INHIBITING GROWTH OF RHINOVIRUSES ELI LILLY AND COMPANY (US) 1981-09-15 — — US disclosed
US-4230868-A α-Alkyl-α-hydroxybenzyl-substituted 1-sulfonylbenzimidazoles ELI LILLY AND COMPANY (US) 1980-10-28 — — US disclosed
US-4174454-A VIRICIDES ELI LILLY AND COMPANY (US) 1979-11-13 — — US disclosed
US-4118742-A VIRICIDES ELI LILLY AND COMPANY (US) 1978-10-03 — — US disclosed
Send feedback