SCHEMBL23999852

SCHEMBL23999852

C=N/C=C\C(=C/C)Nc1ccc(NC(=O)c2ccc(C)nc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ KCNQ3 O43525 1/20 0.45
▸ KCNQ2 O43526 1/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ P4HTM Q9NXG6 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ TCF7L2 Q9NQB0 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 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
SCHEMBL25852263 0.80 KMT2A (0.41) HDAC1HDAC6RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13212217 0.76 RAB9A (0.72) HDAC1HDAC6KCNQ3KCNQ2RAB9A
SCHEMBL4740817 0.74 KCNQ3 (0.68) HDAC1HDAC6KCNQ3KCNQ2RAB9A
SCHEMBL6686328 0.73 ALDH1A1 (0.71) HDAC1HDAC6KCNQ3KCNQ2RAB9A
SCHEMBL20261142 0.72 HDAC1 (0.40) HDAC1HDAC6RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22400083 0.71 RAB9A (0.46) HDAC1HDAC6KCNQ3KCNQ2RAB9A
SCHEMBL4163710 0.70 HDAC1 (0.54) HDAC1HDAC6KCNQ3KCNQ2RAB9A
SCHEMBL25761047 0.70 DNMT1 (0.51) HDAC1HDAC6MAPT
SCHEMBL790699 0.67 NAMPT (0.73) RAB9ASMN1; SMN2TRPV1NPC1
SCHEMBL20924285 0.67 NPSR1 (0.40) HDAC1HDAC6KCNQ3KCNQ2RAB9A

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-2021226519-A1 AKT3 MODULATORS GEORGIAMUNE LLC (US) 2021-11-11 — — WO disclosed
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