SCHEMBL19976833

SCHEMBL19976833

COC[C@H](C)N/C(=N/C(=O)c1ccc(Cl)cc1)Nc1[nH]nc2cc(Cl)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MAP2K4 P45985 1/20 0.37
PTGS2 P35354 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 7/20 0.36
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 1/20 0.34
NR1I2 O75469 1/20 0.34
AHR P35869 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTT P42858 1/20 0.34
DGAT2 Q96PD7 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
SCHEMBL19976803 0.93 MAPK1 (0.38) HPGDLMNAMAP2K4PTGS2POLB
SCHEMBL19976806 0.92 HPGD (0.51) HPGDLMNAMAP2K4POLBALDH1A1
SCHEMBL19976928 0.91 CTNNB1 (0.37) HPGDLMNAPTGS2POLBALDH1A1
SCHEMBL19976786 0.85 HPGD (0.48) HPGDLMNAALDH1A1KDM4ETP53
SCHEMBL19976770 0.85 MAPK1 (0.38) HPGDMAP2K4POLBALDH1A1MAPK1
SCHEMBL19976784 0.84 MAPK1 (0.38) MAP2K4POLBMAPK1DGAT2
SCHEMBL19976944 0.81 MAPK1 (0.36) HPGDLMNAMAP2K4POLBALDH1A1
SCHEMBL19976777 0.81 POLB (0.39) HPGDLMNAPOLBMAPK1DGAT2
SCHEMBL19976798 0.81 PTGES (0.36) LMNAPOLBALDH1A1KDM4ETP53
SCHEMBL18558474 0.79 RAB9A (0.43) HPGDLMNAALDH1A1KDM4EGAA

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-9920012-B2 Indazole guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-20 US disclosed