SCHEMBL24891757

SCHEMBL24891757

O=C(Nc1ccc(N2CCNCC2)cc1)c1ccc(C(=O)Nc2ccc(N3CCNCC3)cc2)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ ATM Q13315 1/20 0.62
▸ RAB9A P51151 5/20 0.59
▸ USP28 Q96RU2 1/20 0.58
▸ NPC1 O15118 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ UBE2N P61088 1/20 0.57
▸ MT-CO2 P00403 1/20 0.56
▸ MAPT P10636 5/20 0.56
▸ GAA P10253 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MAPKAPK2 P49137 3/20 0.53

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
SCHEMBL30182362 1.00 KMT2A (0.62) KMT2AMEN1ATMRAB9AUSP28
SCHEMBL30182624 0.86 MAPT (0.64) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL24892280 0.86 MAPT (0.64) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL24891755 0.85 ITGB3 (0.52) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL24891825 0.84 RAB9A (0.64) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL1999202 0.83 MAPKAPK2 (0.65) KMT2AMEN1RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL2000045 0.82 MAPKAPK2 (0.64) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL24891707 0.82 NPC1 (0.64) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL24891918 0.81 KMT2A (0.58) KMT2AMEN1ATMRAB9ANPC1
SCHEMBL30181082 0.81 KMT2A (0.58) KMT2AMEN1ATMRAB9ANPC1

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed
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