SCHEMBL24519716

SCHEMBL24519716

C=C1C=Cc2cc(NSCc3ccc(C)cc3)ccc2N1CCC

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 4/20 0.32
MAPK1 P28482 4/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 3/20 0.32
PKM P14618 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL18571318 0.74 HDAC1 (0.43) MAPTALDH1A1SMN1; SMN2TP53NPC1
SCHEMBL24519726 0.67 P2RX3 (0.41) MAPTALDH1A1PKMTP53NPC1
SCHEMBL20344759 0.65 BRAF (0.31) KDM4EALDH1A1
SCHEMBL19805053 0.65 PGR (0.57) MAPTMAPK1TDP1TP53L3MBTL1
SCHEMBL19649572 0.63 OPRL1 (0.45) MAPTMAPK1ALDH1A1GAAPKM
SCHEMBL19649592 0.63 OPRM1 (0.39) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL22701980 0.60 NPC1 (0.31) ALDH1A1NPC1LMNAHTTRAB9A
SCHEMBL21507788 0.60 MAPT (0.40) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL14421168 0.59 KMT2A (0.46) MEN1KMT2AMAPTMAPK1KDM4E
SCHEMBL10449116 0.57 CES1 (0.48) MEN1KMT2AMAPTMAPK1ALDH1A1

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
EP-3398940-B1 HIGH STRESS RESISTANT PLANT GROWTH REGULATOR AND PREPARATION METHOD AND USE THEREOF CAS CENTER FOR EXCELLENCE IN MOLECULAR PLANT SCIENCES (CN) 2022-06-22 EP disclosed