SCHEMBL20844982

SCHEMBL20844982

Cc1ccc2nc(-n3ccc(OCc4c(C)cccc4N(N)C(=O)N(C)N)n3)sc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.34
MAPT P10636 8/20 0.34
RAB9A P51151 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 3/20 0.33
LMNA P02545 2/20 0.33
STAT1 P42224 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
THRB P10828 1/20 0.32
AKR1B1 P15121 1/20 0.32
MAP3K5 Q99683 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32

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
SCHEMBL20844985 0.83 HTT (0.35) TP53MAPTRAB9AKMT2AGAA
SCHEMBL20844979 0.81 NR1H4 (0.33)
SCHEMBL20844950 0.81
SCHEMBL20844904 0.77 NR1H4 (0.33)
SCHEMBL20844974 0.77 KDM4E (0.36) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL20844994 0.77 ALDH1A1 (0.30) MAPTSMN1; SMN2ALDH1A1
SCHEMBL16439393 0.76 MAPT (0.33) TP53MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL20844928 0.76 CYP1A2 (0.31)
SCHEMBL19909868 0.76 ALDH1A1 (0.35) MAPTRAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL22564019 0.76 NR1H4 (0.33) MAPT

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-3029038-B1 TETRAZOLINONE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2019-03-27 EP disclosed