SCHEMBL18758151

SCHEMBL18758151

COc1cc(-c2nc3ccccc3n2C)cc(-c2nc3ccccc3n2C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 11/20 0.56
KDM4E B2RXH2 9/20 0.56
RAB9A P51151 7/20 0.56
NPC1 O15118 6/20 0.56
TP53 P04637 5/20 0.56
PKM P14618 4/20 0.56
GAA P10253 4/20 0.56
HSD17B10 Q99714 3/20 0.56
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 6/20 0.54
MAPT P10636 6/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 2/20 0.54
HTT P42858 2/20 0.54
GFER P55789 1/20 0.54
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CA1 P00915 1/20 0.50

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
SCHEMBL13311159 0.88 MEN1 (0.71) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL5011775 0.86 ALDH1A1 (0.68) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL16689153 0.82 SMN1; SMN2 (0.59) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL226785 0.82 MEN1 (0.67) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL18758153 0.81 MEN1 (0.61) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL11314713 0.81 KDM4E (0.54) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL24795862 0.80 ALDH1A1 (0.68) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL23571771 0.80 MEN1 (0.56) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL20982597 0.79 ALDH1A1 (0.83) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL2245507 0.79 KDM4E (0.68) MEN1KMT2AALDH1A1KDM4ERAB9A

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
EP-3362434-B1 CROSS-LINKABLE CHARGE TRANSPORT MATERIALS LOMOX LTD (GB) 2019-08-28 EP disclosed
WO-2017064490-A1 CROSS-LINKABLE CHARGE TRANSPORT MATERIALS LOMOX LIMITED (GB) 2017-04-20 WO disclosed