SCHEMBL30180974

SCHEMBL30180974

N=C(N)NCCc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(CCNC(=N)N)cc3)[nH]n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CNR1 P21554 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ACR P10323 4/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ST14 Q9Y5Y6 1/20 0.39
▸ ROCK2 O75116 1/20 0.38
▸ ROCK1 Q13464 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
SCHEMBL24892103 0.93 MAPT (0.42) MAPTTP53KDM4EALDH1A1CNR1
SCHEMBL24892102 0.93 MAPT (0.42) MAPTTP53KDM4EALDH1A1CNR1
Trifluoroacetic Acid SCHEMBL30182432 0.93 MAPT (0.42) MAPTTP53KDM4EALDH1A1CNR1
SCHEMBL24892357 0.83 SMYD3 (0.42) MAPTTP53ACRMEN1KMT2A
SCHEMBL24892100 0.81 S1PR1 (0.47) KDM4EALDH1A1CNR1SMN1; SMN2ST14
SCHEMBL24892365 0.80 ST14 (0.55) MAPTKDM4ECNR1CA12CA2
SCHEMBL30180742 0.77 ALDH1A1 (0.45) MAPTKDM4EALDH1A1CNR1MEN1
SCHEMBL24892123 0.77 ALDH1A1 (0.45) MAPTKDM4EALDH1A1CNR1MEN1
Trifluoroacetic Acid SCHEMBL30182598 0.76 ACR (0.41) ACRMEN1KMT2A
SCHEMBL24670339 0.75 TRPV1 (0.50) MAPTKDM4ECA12CA2CA9

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 claimed
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