SCHEMBL24865225

SCHEMBL24865225

Cc1cc(N2CCC(C)CC2)c(Cl)cc1Nc1ccc2c(c1)n(C)c(=O)n2C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
BCL6 P41182 7/20 0.42
ALDH1A1 P00352 3/20 0.40
HTT P42858 2/20 0.40
NCOR2 Q9Y618 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BRPF1 P55201 3/20 0.37
LMNA P02545 2/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL30336545 1.00 MAPT (0.44) MAPTBCL6ALDH1A1HTTNCOR2
SCHEMBL24865579 0.88 ALDH1A1 (0.45) MAPTBCL6ALDH1A1SMN1; SMN2TP53
SCHEMBL30336323 0.88 ALDH1A1 (0.45) MAPTBCL6ALDH1A1SMN1; SMN2TP53
SCHEMBL30336503 0.87 ALDH1A1 (0.48) MAPTBCL6ALDH1A1HTTNCOR2
SCHEMBL24865649 0.87 ALDH1A1 (0.48) MAPTBCL6ALDH1A1HTTNCOR2
SCHEMBL24865509 0.82 SMN1; SMN2 (0.42) MAPTBCL6ALDH1A1HTTSMN1; SMN2
SCHEMBL24865744 0.82 BCL6 (0.40) MAPTBCL6ALDH1A1HTTSMN1; SMN2
SCHEMBL24865039 0.82 PIK3CA (0.46) BCL6ALDH1A1HTTSMN1; SMN2TP53
SCHEMBL24865635 0.80 BCL6 (0.39) MAPTBCL6ALDH1A1HTTSMN1; SMN2
SCHEMBL31123320 0.80 BCL6 (0.39) MAPTBCL6ALDH1A1HTTSMN1; SMN2

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-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed