SCHEMBL29598178

SCHEMBL29598178

CCOC(=O)c1nc(N(C)C(=O)OC(C)(C)C)ccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 2/20 0.38
HTT P42858 1/20 0.37
SYK P43405 1/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL29859711 1.00 TARBP2 (0.38) TARBP2HTTSYKKMT2AMAPT
SCHEMBL29235733 0.86 NOTUM (0.36) HTTKMT2AALDH1A1HPGDMEN1
SCHEMBL30802108 0.83 PAX8 (0.37) NPSR1PAX8SSTR4
SCHEMBL29677423 0.80 SYK (0.34) TARBP2SYKSSTR4
SCHEMBL28733813 0.80 SYK (0.34) TARBP2SYKSSTR4
SCHEMBL30801976 0.79 PAX8 (0.34) KMT2AMEN1PAX8SSTR4
SCHEMBL3108926 0.78 CYP1A2 (0.57) KMT2AMAPTALDH1A1HPGDGAA
SCHEMBL30075039 0.77 SSTR4 (0.39) PKMPAX8SSTR4
SCHEMBL21566105 0.77 SSTR4 (0.39) PKMPAX8SSTR4
SCHEMBL30802023 0.76 LMNA (0.37) HTTKMT2AMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114450283-B 3, 6-Diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2024-05-07 CN disclosed
CN-114450283-A 3, 6-diamino-pyridazin-3-yl derivatives, pharmaceutical compositions containing them and their use as pro-apoptotic agents 法国施维雅药厂 2022-05-06 CN disclosed