SCHEMBL8237441

SCHEMBL8237441

C=C(NCc1ccccc1)c1c(N)c(C#N)cn1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40
HPGD P15428 1/20 0.38
KLKB1 P03952 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
SNCA P37840 1/20 0.36
XDH P47989 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL3941669 0.78 KDM4E (0.51) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL3063647 0.73 KDM4E (0.67) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL4225208 0.68 MAPT (0.54) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27957392 0.66 ALDH1A1 (1.00) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL9824755 0.66 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MCL1HPGD
SCHEMBL27970803 0.65 ALDH1A1 (0.51) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL28591593 0.63 ALDH1A1 (0.69) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL8133617 0.63 MCL1 (0.57) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12525977 0.63 NSD2 (0.54) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL27970860 0.62 TSHR (0.49) MEN1KMT2AALDH1A1TSHRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed