SCHEMBL29552004

SCHEMBL29552004

Clc1ccc(N2CCOCC2)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.70
MAPT P10636 4/20 0.59
POLB P06746 2/20 0.55
CHRNB4 P30926 4/20 0.53
CHRNA3 P32297 4/20 0.53
CNR2 P34972 1/20 0.51
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL5198623 1.00 AKR1C3 (0.70) AKR1C3MAPTPOLBCHRNB4CHRNA3
SCHEMBL29998481 0.86 CHRNB4 (0.61) AKR1C3POLBCHRNB4CHRNA3CHRNB2
SCHEMBL27594106 0.82 CHRNB4 (0.58) AKR1C3MAPTPOLBCHRNB4CHRNA3
SCHEMBL27057850 0.82 CHRNB4 (0.58) AKR1C3POLBCHRNB4CHRNA3CHRNB2
SCHEMBL29932734 0.81 CHRNB4 (0.56) AKR1C3MAPTPOLBCHRNB4CHRNA3
SCHEMBL7186276 0.81 CHRNB4 (0.56) AKR1C3MAPTPOLBCHRNB4CHRNA3
SCHEMBL2001588 0.79 CHRNB4 (0.54) AKR1C3POLBCHRNB4CHRNA3CHRNB2
SCHEMBL1735480 0.79 CNR2 (0.55) AKR1C3MAPTPOLBCNR2MEN1
SCHEMBL1982257 0.78 CHRNB4 (0.54) AKR1C3POLBCHRNB4CHRNA3CHRNB2
SCHEMBL2923088 0.78 CHRNB2 (0.64) CHRNB4CHRNA3CHRNB2CHRNA4

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
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
CN-110818641-B Pyridazine-3-formamide compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-10-14 CN disclosed
WO-2022032484-A1 PYRIDAZINE-3-FORMAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 北京诺诚健华医药科技有限公司 2022-02-17 WO disclosed