SCHEMBL17233520

SCHEMBL17233520

CCOC(=O)c1nn(-c2cccc(Sc3cccnc3)c2)c2ncccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.44
ADORA1 P30542 3/20 0.41
ALDH1A1 P00352 9/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.39
APP P05067 2/20 0.39
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
UBE2N P61088 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 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
SCHEMBL17233518 0.86 KCNH2 (0.37) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL17233527 0.82 PDE4A (0.51) ELANEADORA1ALDH1A1HTTKDM4E
SCHEMBL17233513 0.80 KCNH2 (0.53) ELANE
SCHEMBL17243630 0.79 PDE4A (0.49) ALDH1A1
SCHEMBL16532310 0.75 ELANE (0.56) ELANEADORA1ALDH1A1KDM4EHSD17B10
SCHEMBL17243623 0.75 ELANE (0.42) ELANEADORA1ALDH1A1HTTKDM4E
SCHEMBL17243618 0.73 ELANE (0.52) ELANEMEN1KMT2AKDM4EBRD4
SCHEMBL17243911 0.72 ELANE (0.39) ELANEADORA1ALDH1A1HTTKDM4E
SCHEMBL17243640 0.72 KCNH2 (0.49) ELANEALDH1A1
SCHEMBL7176953 0.70 KCNH2 (0.54) ELANENPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181244-B1 Substituted pyrido[2,3-c]pyridazin-4(1H)-ones as tumor necrosis factor alpha and phosphodiesterase 4 inhibitors Xuanzhu Pharma Co., Ltd. (CN) 2015-11-10 US disclosed
US-9181244-B1 Substituted pyrido[2,3-c]pyridazin-4(1H)-ones as tumor necrosis factor alpha and phosphodiesterase 4 inhibitors Xuanzhu Pharma Co., Ltd. (CN) 2015-11-10 US disclosed
US-9181244-B1 Substituted pyrido[2,3-c]pyridazin-4(1H)-ones as tumor necrosis factor alpha and phosphodiesterase 4 inhibitors Xuanzhu Pharma Co., Ltd. (CN) 2015-11-10 US disclosed