SCHEMBL20780593

SCHEMBL20780593

CCC(C)CCc1c(C)n[nH]c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 8/20 0.43
LMNA P02545 7/20 0.43
HTT P42858 5/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 8/20 0.40
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
TTR P02766 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL13197078 0.82 MAPK1 (0.53) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL13202074 0.76 MAPK1 (0.59) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL21145592 0.72 MAPK1 (0.55) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL17493910 0.71 MAPK1 (0.59) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL13325616 0.71 MAPK1 (0.53) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11438926 0.71 HSD17B10 (0.54) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL19182209 0.71 HSD17B10 (0.54) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL11437970 0.71 HSD17B10 (0.54) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL6912162 0.71 HSD17B10 (0.54) MAPK1KDM4ESMN1; SMN2LMNAHTT
SCHEMBL9027068 0.71

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-RE47415-E1 Pyrimidinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-06-04 US disclosed
US-RE47267-E1 Pyridinecarboxamides as CXCR2 modulators SYNTRIX BIOSYSTEMS, INC. (US) 2019-03-05 US disclosed