SCHEMBL25076575

SCHEMBL25076575

Cc1ccc(N(CC(O)CN2CCNCC2)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.50
▸ IDO1 P14902 1/20 0.45
▸ ALOX15 P16050 2/20 0.44
▸ USP2 O75604 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAD52 P43351 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ BAX Q07812 1/20 0.41
▸ CXCR4 P61073 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL25076578 0.95 KMT2A (0.61) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL12433344 0.89 KMT2A (0.46) KMT2AALDH1A1MEN1IDO1ALOX15
SCHEMBL25076580 0.86 BAX (0.53) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL25076539 0.81 KMT2A (0.61) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL6754439 0.74 USP2 (0.81) KMT2AALDH1A1MEN1KDM4EUSP2
SCHEMBL7279436 0.74 KDM4E (0.51) ALDH1A1KDM4EIDO1ALOX15USP2
SCHEMBL30396764 0.73 SMN1; SMN2 (0.57) KMT2AALDH1A1MEN1KDM4EIDO1
SCHEMBL12158392 0.70 ATM (0.56) KMT2AMEN1KDM4EUSP2TSHR
Hydrochloric Acid SCHEMBL5551349 0.70 DNM1 (0.54) KMT2AALDH1A1MEN1KDM4EHSD17B10
SCHEMBL12501341 0.70 SMN1; SMN2 (0.50) KMT2AALDH1A1MEN1KDM4EIDO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023023316-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-02-23 — — WO disclosed
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