SCHEMBL31094226

SCHEMBL31094226

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CCNE1 P24864 6/20 0.43
▸ CDK2 P24941 6/20 0.43
▸ GALR2 O43603 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ ROCK2 O75116 3/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GALR1 P47211 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38

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
SCHEMBL31094223 0.83 CCNE1 (0.48) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL23867576 0.81 LMNA (0.52) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL23867651 0.80 LMNA (0.53) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL30234151 0.78 IMPDH2 (0.46) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL23867551 0.75 LMNA (0.61) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL31094236 0.74 CCNE1 (0.47) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL31094225 0.74 CCNE1 (0.49) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL31094221 0.74 LMNA (0.49) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL23859942 0.73 POLB (0.55) MAPTLMNAALDH1A1HSD17B10KDM4E
SCHEMBL23867649 0.72 ALDH1A1 (0.52) MAPTLMNAALDH1A1HSD17B10KDM4E

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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