SCHEMBL9818549

SCHEMBL9818549

Nc1ccnn1-c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
NPC1 O15118 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
HPGD P15428 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
APAF1 O14727 1/20 0.43
TP53 P04637 1/20 0.43
CASP7 P55210 1/20 0.43
USP2 O75604 1/20 0.41
RAB9A P51151 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL22667997 0.83 POLB (0.44) POLBNPC1MAPK1ALDH1A1HSD17B10
SCHEMBL27894718 0.79 NPC1 (0.50) POLBNPC1MAPK1ALDH1A1HSD17B10
SCHEMBL859246 0.79 NPC1 (0.50) POLBNPC1MAPK1ALDH1A1HSD17B10
SCHEMBL27916120 0.79 NPC1 (0.50) POLBNPC1MAPK1ALDH1A1HSD17B10
SCHEMBL860756 0.79 NPC1 (0.50) POLBNPC1MAPK1ALDH1A1HSD17B10
SCHEMBL15209780 0.78 SLC9A1 (0.46) POLBKDM4EMEN1MAPTKMT2A
SCHEMBL10992734 0.74 POLB (0.55) POLBALDH1A1KDM4ETP53TSHR
SCHEMBL1816971 0.74 POLB (0.55) POLBALDH1A1HPGDMEN1MAPT
SCHEMBL15428731 0.74 POLB (0.55) POLBALDH1A1KDM4E
SCHEMBL544410 0.74 POLB (0.55) POLBHPGDMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US claimed
US-5001227-A Fibre-reactive 1:1 chromium complex azo or azomethine dyes having a bidentate chelating group and a monofunctional neutral ligand CIBA-GEIGY CORPORATION (US) 1991-03-19 US disclosed
US-4185013-A Anionic azo dyes having a 3-dibenzofuranyl diazo component radical optionally having a 2- or 8-sulfo group SANDOZ LTD. (CH) 1980-01-22 US disclosed
US-4081438-A Anionic azo dyes having a 3-dibenzofuranyl diazo component radical optionally having A2-or 8-sulfo group SANDOZ LTD. (CH) 1978-03-28 US disclosed