SCHEMBL29935019

SCHEMBL29935019

COc1ccc(CSc2nccc(C)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
KDM1A O60341 1/20 0.50
MMP13 P45452 1/20 0.49
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
CKS1B P61024 1/20 0.47
SKP2 Q13309 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSB P07858 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL28868891 0.87 SMN1; SMN2 (0.50) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL16920966 0.84 NPC1 (0.50) SMN1; SMN2NPC1RAB9AKDM1AMAPT
SCHEMBL27595525 0.84 MAPT (0.50) SMN1; SMN2LMNANPC1RAB9AKDM1A
SCHEMBL21338139 0.81 LMNA (0.53) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL5695138 0.81 HSD17B10 (0.65) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL29953114 0.79 LMNA (0.55) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL28269804 0.78 L3MBTL1 (0.55) SMN1; SMN2LMNAPKMNPC1RAB9A
Bicarbonate SCHEMBL11298239 0.77 KDM4E (0.60) SMN1; SMN2LMNAPKMNPC1RAB9A
SCHEMBL16743643 0.77 HTT (0.54) SMN1; SMN2LMNANPC1RAB9AKDM1A
SCHEMBL28269768 0.75 MAPT (0.72) SMN1; SMN2LMNAPKMRAB9AKDM1A

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-20220291237-A1 Gene Expression Inflammatory Age and Its Uses Edifice Health, Inc. (US) 2022-09-15 US disclosed