SCHEMBL19976770

SCHEMBL19976770

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 11/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
NAMPT P43490 2/20 0.37
MAP2K4 P45985 1/20 0.36
DGAT2 Q96PD7 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 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
SCHEMBL19976803 0.92 MAPK1 (0.38) MAPK1POLBALDH1A1HPGDNAMPT
SCHEMBL19976807 0.91 MAPK1 (0.37) MAPK1POLBHPGDNAMPTDGAT2
SCHEMBL19976784 0.90 MAPK1 (0.38) MAPK1POLBNAMPTMAP2K4DGAT2
SCHEMBL19976786 0.86 HPGD (0.48) MAPK1ALDH1A1HPGDNAMPTDGAT2
SCHEMBL19976833 0.85 HPGD (0.41) MAPK1POLBALDH1A1HPGDMAP2K4
SCHEMBL16752823 0.84 MAP2K4 (0.44) MAPK1MAP2K4CDK2
SCHEMBL16752820 0.84 MAP2K4 (0.44) MAPK1MAP2K4CDK2
SCHEMBL16769269 0.84 MAP2K4 (0.44) MAPK1MAP2K4CDK2
SCHEMBL16752817 0.84 MAP2K4 (0.44) MAPK1MAP2K4CDK2
SCHEMBL18557814 0.83 RAB9A (0.48) POLBALDH1A1HPGDATM

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