SCHEMBL19375583

SCHEMBL19375583

CNc1c(NCc2ccc(Cl)cc2)c(=O)n(CCC2(O)CC2)c(=O)n1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ PARG Q86W56 2/20 0.34
▸ TRPC5 Q9UL62 4/20 0.34
▸ ADORA2B P29275 1/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ METAP2 P50579 1/20 0.33

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
SCHEMBL18835068 0.86 ALDH1A1 (0.43) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL18834584 0.83 TRPC5 (0.50) MAPTTP53TRPC5ADRA2A
SCHEMBL19375320 0.77 ALDH1A1 (0.39) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL18833873 0.73 MAPT (0.49) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL18834990 0.70 ALDH1A1 (0.48) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL20432619 0.69 ADORA2B (0.38) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL18834573 0.68 TRPC5 (0.51) MAPTALDH1A1TP53TRPC5ADRA2A
SCHEMBL16028277 0.68 TSHR (0.62) MAPTALDH1A1LMNANPSR1MEN1
SCHEMBL18834071 0.68 KMT2A (0.44) MAPTALDH1A1NPSR1MEN1POLB
SCHEMBL18833893 0.65 ALDH1A1 (0.43) MAPTALDH1A1LMNANPSR1MEN1

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
EP-2970303-B9 SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF HYDRA BIOSCIENCES INC (US) 2017-09-20 — — EP disclosed
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