SCHEMBL19750331

SCHEMBL19750331

CN(Cc1ccccc1)C(=O)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
POLB P06746 1/20 0.64
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
PKM P14618 1/20 0.57
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CA12 O43570 1/20 0.53
CA9 Q16790 1/20 0.53
GABRA1 P14867 3/20 0.53
GABRG2 P18507 3/20 0.53
GABRB3 P28472 3/20 0.53
GABRA3 P34903 3/20 0.53
GABRA2 P47869 3/20 0.53

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
SCHEMBL24636855 0.95 POLB (0.66) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL5790489 0.92 POLB (0.69) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL3154235 0.86 POLB (0.63) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL13450089 0.86 POLB (0.63) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL26522945 0.84 KMT2A (0.50) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL3560864 0.84 POLB (0.61) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL1190641 0.84 POLB (0.61) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL3157460 0.84 POLB (0.61) MEN1KMT2APOLBHTTSMN1; SMN2
SCHEMBL28694741 0.83 MEN1 (0.73) MEN1KMT2AHTTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4713610 0.83 POLB (0.60) MEN1KMT2APOLBHTTSMN1; 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
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed