SCHEMBL20208629

SCHEMBL20208629

Cc1c(N2CC(C)N(C)C(C)C2)ccc2c3c(c(=O)oc12)CNCC3

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTHFD2 P13995 13/20 0.48
MTHFD1 P11586 9/20 0.48
ERN1 O75460 2/20 0.46
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
MAPK1 P28482 2/20 0.39
MAOA P21397 2/20 0.39
LMNA P02545 1/20 0.37
GBA1 P04062 1/20 0.35
TSHR P16473 1/20 0.35
MAOB P27338 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
SCHEMBL20208628 1.00 MTHFD2 (0.48) MTHFD2MTHFD1ERN1HSD17B10KDM4E
SCHEMBL24691316 1.00 MTHFD2 (0.48) MTHFD2MTHFD1ERN1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL21354086 0.99 MTHFD2 (0.47) MTHFD2MTHFD1ERN1HSD17B10KDM4E
SCHEMBL20209028 0.89 MTHFD2 (0.51) MTHFD2MTHFD1ERN1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL21354111 0.88 MTHFD2 (0.51) MTHFD2MTHFD1ERN1HSD17B10KDM4E
SCHEMBL20209030 0.84 MTHFD2 (0.51) MTHFD2MTHFD1ERN1HSD17B10KDM4E
SCHEMBL21354101 0.83 MTHFD2 (0.44) MTHFD2MTHFD1ERN1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL21354084 0.83 MTHFD2 (0.50) MTHFD2MTHFD1ERN1HSD17B10KDM4E
SCHEMBL20209040 0.80 ERN1 (0.41) MTHFD2MTHFD1ERN1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL21354112 0.79 ERN1 (0.41) MTHFD2MTHFD1ERN1HSD17B10KDM4E

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
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