SCHEMBL23536581

SCHEMBL23536581

c1ccc2c(N3CCOCC3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.56
CDC7 O00311 1/20 0.53
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
FGFR1 P11362 2/20 0.52
ITK Q08881 1/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
MAPK10 P53779 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
FLT1 P17948 1/20 0.51
PTK2 Q05397 1/20 0.50
GLA P06280 1/20 0.48

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
SCHEMBL26912263 0.94 LRRK2 (0.57) LRRK2CDC7KDM4EALDH1A1MAPK1
SCHEMBL23536603 0.85 CDC7 (0.45) LRRK2CDC7KDM4EALDH1A1MAPK1
SCHEMBL18228562 0.84 HPGD (0.55) KDM4EALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL3067812 0.84 HPGD (0.55) KDM4EALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL4053256 0.83 HPGD (0.58) KDM4EALDH1A1MAPK1SMN1; SMN2HSD17B10
Cyclopropane SCHEMBL27839943 0.83 HPGD (0.58) KDM4EALDH1A1MAPK1SMN1; SMN2HSD17B10
SCHEMBL29468202 0.81 KDM4E (0.54) LRRK2KDM4EALDH1A1HSD17B10FGFR1
SCHEMBL8714004 0.81 PARP1 (0.44) LRRK2CDC7KDM4EALDH1A1MAPK1
SCHEMBL1132419 0.81 KDM4E (0.54) LRRK2KDM4EALDH1A1HSD17B10FGFR1
SCHEMBL13721430 0.81 PARP1 (0.53) KDM4EALDH1A1MAPK1HSD17B10MAPT

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
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed