SCHEMBL21335463

SCHEMBL21335463

CCc1ccc(N2CN(c3ccc(C(C)(C)C)cc3)CN(c3ccc(C(C)(C)C)cc3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SIGMAR1 Q99720 6/20 0.41
SMO Q99835 2/20 0.39
DRD4 P21917 1/20 0.39
MGLL Q99685 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
ACACB O00763 2/20 0.39
HSD11B1 P28845 3/20 0.38
POLB P06746 2/20 0.37
EBP Q15125 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL19520011 0.89 KDM4E (0.41) KDM4ENPC1RAB9ASIGMAR1SMO
SCHEMBL19506972 0.86 TSHR (0.46) KDM4ENPC1SIGMAR1HSD11B1HRH3
SCHEMBL11503719 0.86 KDM4E (0.61) KDM4ENPC1RAB9AMGLLPOLB
SCHEMBL338386 0.82 BCHE (0.52) BCHEACHE
SCHEMBL19540561 0.79 KDM4E (0.53) KDM4ENPC1RAB9AMGLLALDH1A1
SCHEMBL12668409 0.79 TSHR (0.62) KDM4ENPC1RAB9ASMOBCHE
SCHEMBL19315291 0.79 MAPK1 (0.54) KDM4ENPC1RAB9AHSD11B1POLB
SCHEMBL18643754 0.76 KIF11 (0.52) KDM4ENPC1RAB9ABCHEACHE
SCHEMBL19540562 0.74 ACACB (0.41) KDM4ENPC1MGLLACACBHSD11B1
SCHEMBL20178041 0.73 HSD11B1 (0.57) KDM4ENPC1SMODRD4HSD11B1

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
US-10411283-B2 Polymer electrolyte membrane LG CHEM, LTD. (KR) 2019-09-10 US disclosed