SCHEMBL28035890

SCHEMBL28035890

COc1ccc2nc(OC)cnc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
NQO2 P16083 1/20 0.56
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PDGFRB P09619 6/20 0.55
PDGFRA P16234 6/20 0.55
EGFR P00533 2/20 0.50
HPGDS O60760 3/20 0.49
HPGD P15428 3/20 0.47
F2 P00734 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL3916025 0.84 HTT (0.72) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL621880 0.81 ALDH1A1 (0.56) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL8058635 0.81 ALDH1A1 (0.47) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL29991874 0.81 ALDH1A1 (0.56) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL3841710 0.81 PDGFRB (0.46) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL13666129 0.80 ALDH1A1 (0.55) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL31033500 0.80 ALDH1A1 (0.55) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL558148 0.80 ALDH1A1 (0.55) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL557973 0.80 NCF1 (0.59) RAB9AALDH1A1MEN1KMT2ANPC1
SCHEMBL30891066 0.80 TLR9 (0.50) RAB9AALDH1A1MEN1KMT2ANPC1

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
CN-103524436-B 1-[(the alkoxyl group quinoxalinyl that 6,7-replaces) aminocarboxyl]-4-(mixing) aryl piperazine derivative REXAHN PHARMACEUTICALS INC. (US) 2015-09-23 CN disclosed