Methane

Methane

SCHEMBL4439205

C.O=C(C(CCn1ccnc1Cl)NS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR10 P46092 2/20 0.50
▸ F2 P00734 6/20 0.46
▸ HTR7 P34969 2/20 0.44
▸ F10 P00742 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL1311146 0.88 CCR10 (0.48) CCR10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1076161 0.86 CCR10 (0.51) CCR10F10ALDH1A1CYP3A4CYP2C9
Methane SCHEMBL1083573 0.83 CCR10 (0.54) CCR10F2F10
SCHEMBL1077338 0.81 CCR10 (0.70) CCR10
SCHEMBL1074363 0.79 CCR10 (0.54) CCR10F10ALDH1A1CYP3A4
SCHEMBL13665867 0.78 CCR10 (0.40) CCR10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL13665628 0.77 CCR10 (0.42) CCR10F10ALDH1A1CYP3A4CYP2C9
SCHEMBL1311519 0.76 CCR10 (0.49) CCR10ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1311486 0.75 CCR10 (0.55) CCR10F10ALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1311431 0.75 HDAC8 (0.55) ALDH1A1

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
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — WO disclosed
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