SCHEMBL27404947

SCHEMBL27404947

CNc1cncc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.60
▸ KMT2A Q03164 5/20 0.51
▸ NPSR1 Q6W5P4 5/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NR2E1 Q9Y466 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ USP2 O75604 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50

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
SCHEMBL31350861 0.89 MAOB (0.57) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL27405655 0.86 MAOB (0.60) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL16598663 0.84 MAOB (0.64) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL31350822 0.84 MAOB (0.64) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL27406350 0.84 MAOB (0.68) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL31351131 0.83 MAOB (0.66) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL27405653 0.83 MAOB (0.66) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL30961614 0.82 MAOB (0.64) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL31351077 0.82 MAOB (0.64) MAOBKMT2ANPSR1ALDH1A1MEN1
SCHEMBL16598958 0.82 MAOB (0.64) MAOBKMT2ANPSR1ALDH1A1MEN1

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-2024124287-A1 COMPOUNDS FOR TREATING VIRAL INFECTION THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2024-06-20 — — WO disclosed
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