SCHEMBL29624191

SCHEMBL29624191

Clc1ccc(-n2ncc3cccnc32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.73
NPC1 O15118 8/20 0.53
RAB9A P51151 8/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 2/20 0.53
MAPT P10636 6/20 0.44
HPGD P15428 6/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.44
GRM1 Q13255 3/20 0.43
GRM5 P41594 1/20 0.43
PKM P14618 1/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41

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
SCHEMBL4201391 0.84 KDM4E (1.00) KDM4ESMN1; SMN2LMNAMAPTHPGD
SCHEMBL7701732 0.83 KDM4E (0.73) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10176225 0.83 KDM4E (0.67) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30117642 0.78 KDM4E (0.75) KDM4ENPC1RAB9ALMNAMAPT
SCHEMBL9980902 0.77 KDM4E (0.63) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL10447432 0.77 RAB9A (0.49) KDM4ENPC1RAB9ASMN1; SMN2LMNA
SCHEMBL19100208 0.74 KDM4E (0.55) KDM4EALDH1A1PKM
Fumaric Acid SCHEMBL10590166 0.74 KDM4E (0.77) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL27254297 0.74 KDM4E (0.59) KDM4ENPC1RAB9ASMN1; SMN2LMNA
Maleic Acid SCHEMBL10590159 0.74 KDM4E (0.77) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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
EP-4003991-A1 HETEROARYL-SUBSTITUTED PYRAZOLO-PYRIDINE PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH HepaRegeniX GmbH (DE) 2022-06-01 EP disclosed