SCHEMBL10429682

SCHEMBL10429682

O=c1cc(-c2ccccc2)nc2n1CCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 3/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CGAS Q8N884 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
KDM4E B2RXH2 4/20 0.40
HPGD P15428 1/20 0.40
RAD51 Q06609 1/20 0.40
POLB P06746 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL11665619 0.70 ALDH1A1 (0.49) KMT2AALDH1A1SMN1; SMN2HSD17B10TP53
SCHEMBL6493490 0.68 ALDH1A1 (0.55) KMT2AALDH1A1SMN1; SMN2HSD17B10TP53
SCHEMBL11443188 0.68 HPGD (0.58) KMT2AALDH1A1HSD17B10TP53MAPT
SCHEMBL18802950 0.65 GRM5 (0.40) KMT2AALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL11508684 0.64 KMT2A (0.39) KMT2AALDH1A1MAPTTSHRHPGD
SCHEMBL8767485 0.62 ALDH1A1 (0.56) KMT2AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL8994051 0.61 GSK3B (0.56) KMT2AALDH1A1SMN1; SMN2TP53MAPT
SCHEMBL1659994 0.61 KDM4E (0.52) KMT2AALDH1A1SMN1; SMN2HSD17B10TP53
SCHEMBL4493177 0.61 BACE1 (0.63) ALDH1A1SMN1; SMN2HSD17B10TP53MAPT
SCHEMBL9920492 0.59 MEN1 (0.68) KMT2AALDH1A1SMN1; SMN2MAPTRAB9A

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-4950670-A Psychological and cardiovascular disorders SYNTHELABO (FR) 1990-08-21 US disclosed