SCHEMBL31094223

SCHEMBL31094223

Cc1cc(Nc2ccc(NC(=O)c3cc(Br)cs3)cc2)nc(N2CCCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 6/20 0.48
▸ CDK2 P24941 6/20 0.48
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ GALR2 O43603 2/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ ROCK2 O75116 2/20 0.43
▸ ROCK1 Q13464 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ DNMT3L Q9UJW3 1/20 0.43
▸ DNMT3A Q9Y6K1 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ POLB P06746 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
SCHEMBL31094236 0.85 CCNE1 (0.47) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL23867576 0.84 LMNA (0.52) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL31094226 0.83 MAPT (0.44) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL31094225 0.81 CCNE1 (0.49) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL23867551 0.78 LMNA (0.61) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL23867651 0.77 LMNA (0.53) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL31094221 0.77 LMNA (0.49) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL23859942 0.76 POLB (0.55) LMNAMAPTHSD17B10ALDH1A1KDM4E
SCHEMBL23867649 0.75 ALDH1A1 (0.52) CCNE1CDK2LMNAMAPTHSD17B10
SCHEMBL30234817 0.75 LMNA (0.52) CCNE1CDK2LMNAMAPTHSD17B10

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
WO-2024211314-A2 INHIBITORS OF CHD1L AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2024-10-10 — — WO claimed
WO-2024211314-A2 INHIBITORS OF CHD1L AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2024-10-10 — — WO disclosed
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