SCHEMBL9719852

SCHEMBL9719852

Clc1cc(OCc2ccccn2)ccc1NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
SYK P43405 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.45
PKM P14618 1/20 0.44
F2 P00734 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GPR132 Q9UNW8 1/20 0.43
FABP1 P07148 1/20 0.42
FABP6 P51161 1/20 0.42
BACE1 P56817 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ABCB1 P08183 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
TP53 P04637 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
SCHEMBL9719857 0.82 SYK (0.50) ALDH1A1KMT2ASYKPTGES2SMN1; SMN2
SCHEMBL9719801 0.79 F2 (0.63) ALDH1A1KMT2AMEN1PKMF2
SCHEMBL9719818 0.79 ABCB1 (0.48) ALDH1A1KMT2AMEN1SYKPKM
SCHEMBL9719832 0.78 F2 (0.58) ALDH1A1KMT2AMEN1PKMF2
SCHEMBL28049606 0.78 SYK (0.57) ALDH1A1KMT2AMEN1SYKSMN1; SMN2
SCHEMBL22002088 0.76 KDM4E (0.55) ALDH1A1KMT2AMEN1F2SMN1; SMN2
SCHEMBL5436700 0.76 TACR3 (0.52) KMT2AMEN1SMN1; SMN2ABCB1TP53
SCHEMBL9719821 0.76 SYK (0.58) ALDH1A1SYKPTGES2SMN1; SMN2KDM4E
SCHEMBL9719782 0.75 ERBB2 (0.53) ALDH1A1KMT2ASYKABCB1HTR1A
SCHEMBL3230243 0.74 PPARA (0.54) ALDH1A1KMT2AMEN1PTGES2F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed