SCHEMBL24891884

SCHEMBL24891884

NCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCN)cc3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.49
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NCOA1 Q15788 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ESRRG P62508 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HDAC3 O15379 1/20 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
Trifluoroacetic Acid SCHEMBL30182563 0.90 HDAC3 (0.46) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL24891741 0.81 MEN1 (0.63) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL24892106 0.80 ALDH1A1 (0.46) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL26712085 0.78 TAAR1 (0.50) KMT2ARAB9AMAPTALDH1A1KDM4E
SCHEMBL19668154 0.77 HTR6 (0.49) KMT2AALDH1A1KDM4ESMN1; SMN2TDP1
SCHEMBL12569387 0.77 PEPD (0.55) MEN1KMT2ANPC1LMNAMAPT
SCHEMBL8185226 0.77 MEN1 (0.62) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL15651884 0.77 POLB (0.73) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL24670336 0.75 TRPV1 (0.57) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL1469234 0.75 AOC3 (0.59) MEN1KMT2ARAB9ALMNAMAPT

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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