SCHEMBL31094221

SCHEMBL31094221

Cc1cc(Nc2ccc(NC(=O)Cc3ccc(Br)s3)cc2)nc(N2CCCC2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ SLC2A1 P11166 3/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ CCNE1 P24864 4/20 0.44
▸ CDK2 P24941 4/20 0.44
▸ GALR2 O43603 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ROCK2 O75116 2/20 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
SCHEMBL23867576 0.86 LMNA (0.52) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL23859942 0.84 POLB (0.55) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL23867551 0.80 LMNA (0.61) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL23867649 0.80 ALDH1A1 (0.52) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL31094236 0.78 CCNE1 (0.47) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL31094238 0.78 SLC2A1 (0.50) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL30979648 0.77 POLB (0.66) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL31094223 0.77 CCNE1 (0.48) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL31094233 0.76 PKM (0.50) LMNAALDH1A1HSD17B10HPGDKDM4E
SCHEMBL23867470 0.76 HRH3 (0.44) LMNAALDH1A1HSD17B10HPGDKDM4E

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
Send feedback