SCHEMBL20208615

SCHEMBL20208615

Cc1c(N2CCN(C)CC2)cc(C)c2c3c(c(=O)oc12)CNCC3

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 9/20 0.36
CCR4 P51679 7/20 0.36
ASIC3 Q9UHC3 2/20 0.36
ERN1 O75460 2/20 0.35
MTHFD1 P11586 5/20 0.34

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
SCHEMBL20208614 0.86 MTHFD1 (0.39) MTHFD2ERN1MTHFD1
Hydrochloric Acid SCHEMBL21354118 0.85 MTHFD1 (0.38) MTHFD2ERN1MTHFD1
SCHEMBL31535444 0.81 MTHFD1 (0.30) MTHFD2MTHFD1
SCHEMBL31535176 0.81 MTHFD1 (0.30) MTHFD2MTHFD1
SCHEMBL20209030 0.81 MTHFD2 (0.51) MTHFD2CCR4ERN1MTHFD1
Hydrochloric Acid SCHEMBL21354084 0.80 MTHFD2 (0.50) MTHFD2CCR4ERN1MTHFD1
SCHEMBL31535487 0.80 ERN1 (0.32) ERN1
SCHEMBL20209031 0.77 ERN1 (0.48) ERN1
Sulfuric Acid SCHEMBL31535353 0.74 ERN1 (0.47) ERN1
SCHEMBL31535274 0.72 MTHFD1 (0.33) MTHFD2MTHFD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3546463-B1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON DAIICHI SANKYO CO LTD (JP) 2022-12-07 EP disclosed
EP-3546463-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON Daiichi Sankyo Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018097162-A1 SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON 第一三共株式会社 2018-05-31 WO disclosed