SCHEMBL18868635

SCHEMBL18868635

S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.80
KMT2A Q03164 6/20 0.80
POLB P06746 3/20 0.80
HPGD P15428 3/20 0.80
PKM P14618 2/20 0.80
USP2 O75604 2/20 0.80
BLM P54132 2/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
SMN1; SMN2 Q16637 1/20 0.80
ALDH1A1 P00352 8/20 0.71
GAA P10253 3/20 0.71
KDM4D Q6B0I6 3/20 0.70
ATG4B Q9Y4P1 1/20 0.70
KDM4E B2RXH2 6/20 0.58
MAPT P10636 5/20 0.58
THRB P10828 2/20 0.57
PABPC1 P11940 1/20 0.57
HTT P42858 2/20 0.56
TNNI3 P19429 1/20 0.55
TNNT2 P45379 1/20 0.55

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
SCHEMBL5997551 0.84 KDM4D (0.98) MEN1KMT2APOLBHPGDPKM
SCHEMBL5992705 0.83 KDM4D (1.00) MEN1KMT2APOLBHPGDPKM
SCHEMBL13720219 0.74 KDM4E (1.00) MEN1KMT2APOLBALDH1A1KDM4E
SCHEMBL14119558 0.74 KDM4E (0.71) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL5995022 0.73 KDM4D (1.00) MEN1KMT2APOLBHPGDUSP2
SCHEMBL9613308 0.71 TDP1 (1.00) MEN1KMT2APOLBHPGDPKM
SCHEMBL13856682 0.70 PTPN7 (1.00) MEN1KMT2APOLBHPGDPKM
SCHEMBL9613359 0.70 PTPN7 (0.77) MEN1KMT2APOLBHPGDUSP2
SCHEMBL9613368 0.70 PTPN7 (1.00) MEN1KMT2APOLBHPGDPKM
SCHEMBL9613317 0.69 KDM4D (0.82) MEN1KMT2APOLBHPGDUSP2

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
US-9648880-B2 Antifungal agents and uses thereof UNIVERSITY OF MASSACHUSETTS (US) 2017-05-16 US disclosed