SCHEMBL3394036

SCHEMBL3394036

Oc1ccccc1-c1cnnc(NCc2cc(-c3ccccc3)[nH]n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 6/20 0.45
MAPT P10636 10/20 0.43
SMN1; SMN2 Q16637 8/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.43
AGTR1 P30556 1/20 0.43
MEN1 O00255 9/20 0.38
KMT2A Q03164 9/20 0.38
HPGD P15428 6/20 0.38
RAB9A P51151 5/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
ALOX12 P18054 2/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL13425768 0.90 RAB9A (0.39) ALOX15MAPTSMN1; SMN2GAAMEN1
SCHEMBL13425663 0.87 RAB9A (0.46) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL13425736 0.87 RAB9A (0.37) ALOX15MAPTSMN1; SMN2GAAMEN1
SCHEMBL13425685 0.87 MAPT (0.41) ALOX15MAPTSMN1; SMN2CYP1A2CYP2C9
SCHEMBL13426077 0.87 NR1H2 (0.37) ALOX15MAPTMEN1KMT2ARAB9A
SCHEMBL13425678 0.87 NTRK1 (0.38) MAPTRAB9ATP53POLBADORA2A
SCHEMBL13425670 0.87 CYP1A2 (0.38) ALOX15MAPTSMN1; SMN2CYP1A2CYP2C19
SCHEMBL13425666 0.86 NTRK1 (0.37) SMN1; SMN2CYP1A2CYP2C19GAACYP3A4
SCHEMBL13425523 0.85 RAB9A (0.44) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL13425672 0.85 ATR (0.39) MAPTMEN1KMT2ARAB9APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed