SCHEMBL20535966

SCHEMBL20535966

N#CCN1C(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ESR1 P03372 1/20 0.51
▸ TP53 P04637 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ RPS6KA2 Q15349 2/20 0.47
▸ MLYCD O95822 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ PLG P00747 1/20 0.46
▸ PLAU P00749 1/20 0.46
▸ KLKB1 P03952 1/20 0.46
▸ PRSS1 P07477 1/20 0.46

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
SCHEMBL20535272 0.88 TP53 (0.49) MAPTLMNARAB9ANPC1MEN1
SCHEMBL20535270 0.88 ALDH1A1 (0.48) RAB9ANPC1MEN1KMT2AESR1
SCHEMBL20535657 0.84 MEN1 (0.47) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL20535005 0.83 ALDH1A1 (0.45) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL20535061 0.82 ALDH1A1 (0.46) MAPTLMNARAB9ANPC1MEN1
SCHEMBL20534830 0.82 MEN1 (0.49) RAB9ANPC1MEN1KMT2ATP53
SCHEMBL20534979 0.81 ALDH1A1 (0.61) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL20535063 0.81 ALDH1A1 (0.53) MAPTLMNARAB9ANPC1MEN1
SCHEMBL20535822 0.78 POLB (0.60) MAPTLMNARAB9ANPC1MEN1
SCHEMBL20535157 0.77 ALDH1A1 (0.60) RAB9ANPC1MEN1KMT2AALDH1A1

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-2018189679-A1 ISOINDOLINE DERIVATIVES FOR USE AS AMPK ACTIVATORS UNIVERSITA' DI PISA (IT) 2018-10-18 — — WO claimed
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