SCHEMBL19976788

SCHEMBL19976788

CCc1nn(CCCO)c2cc(F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.40
SCN9A Q15858 2/20 0.40
SLC22A12 Q96S37 7/20 0.39
ESR1 P03372 2/20 0.38
PLK1 P53350 1/20 0.35
PDE5A O76074 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
MPO P05164 2/20 0.35
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
BCL2A1 Q16548 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
SCHEMBL18556901 0.86 HASPIN (0.43) SLC22A12ESR1PLK1KDM4C
SCHEMBL16682146 0.83 KMO (0.46) SCN5ASCN9ASLC22A12ESR1PLK1
SCHEMBL24045599 0.82 ADORA2A (0.43) SLC22A12ESR1PDE5A
SCHEMBL19976904 0.81 MPO (0.41) SLC22A12KDM4CMPO
SCHEMBL16675971 0.80 SCN5A (0.41) SCN5ASCN9ASLC22A12ESR1PLK1
SCHEMBL13106217 0.77 GRM4 (0.43) SLC22A12ESR1KDM4C
Fumaric Acid SCHEMBL5678039 0.77 SLC22A12 (0.47) SLC22A12ESR1KDM4CBCL2A1
SCHEMBL13131355 0.73 KDM4C (0.38) SCN9AKDM4CMPO
SCHEMBL21334032 0.70 KDM4E (0.41) ESR1PLK1PDE5AKDM4CMPO
SCHEMBL16123846 0.70 HTR2C (0.36) SLC22A12

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