SCHEMBL29944490

SCHEMBL29944490

Clc1cc(CN2CCC2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.52
LOX P28300 1/20 0.52
LOXL3 P58215 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
POLB P06746 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CXCR4 P61073 1/20 0.50
HRH3 Q9Y5N1 3/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HRH4 Q9H3N8 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
ICAM1 P05362 1/20 0.43
CHKA P35790 1/20 0.43
CCR2 P41597 1/20 0.42

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
SCHEMBL23358024 1.00 RECQL (0.52) RECQLLOXLOXL3LOXL2POLB
SCHEMBL937589 0.96 SMN1; SMN2 (0.54) RECQLLOXLOXL3LOXL2POLB
SCHEMBL31669110 0.96 SMN1; SMN2 (0.54) RECQLLOXLOXL3LOXL2POLB
SCHEMBL7606866 0.95 SMN1; SMN2 (0.57) RECQLLOXLOXL3LOXL2POLB
SCHEMBL937665 0.85 HRH3 (0.54) RECQLLOXLOXL3LOXL2SMN1; SMN2
SCHEMBL12538821 0.85 CXCR4 (0.61) RECQLLOXLOXL3LOXL2CXCR4
SCHEMBL17331777 0.85 MC4R (0.54) RECQLLOXLOXL3LOXL2KDM4E
SCHEMBL14640057 0.84 CXCR4 (0.76) CXCR4HRH3CCR2
SCHEMBL12538740 0.82 KMT2A (0.54) RECQLLOXLOXL3LOXL2ALDH1A1
SCHEMBL12538871 0.79 CYP3A4 (0.54) RECQLSMN1; SMN2KDM4EALDH1A1ICAM1

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-114728950-B Compounds useful as inhibitors of HELIOS proteins 百时美施贵宝公司 2024-10-18 CN disclosed
EP-4061812-A1 COMPOUNDS USEFUL AS INHIBITORS OF HELIOS PROTEIN Bristol-Myers Squibb Company (US) 2022-09-28 EP disclosed