SCHEMBL24939028

SCHEMBL24939028

C=C1C(S)CC(=O)N1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.47
P2RX4 Q99571 2/20 0.47
P2RX1 P51575 1/20 0.46
P2RX3 P56373 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HTR2C P28335 1/20 0.44
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43

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
SCHEMBL24939029 0.84 CTRB1 (0.47) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL22184884 0.78 HTR2C (0.55) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL9009580 0.77 P2RX4 (0.50) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL274967 0.75 P2RX4 (0.58) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL22175038 0.74 HTR2C (0.50) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL8526862 0.73 P2RX4 (0.55) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL20888347 0.73 CTRB1 (0.46) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL22214513 0.73 HTR2C (0.46) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL22175043 0.72 HTR2C (0.48) CTRB1P2RX4P2RX1P2RX3SMN1; SMN2
SCHEMBL29235094 0.70 NPC1 (0.61) CTRB1P2RX4P2RX1P2RX3SMN1; 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-2023004409-A1 GUIDE RNAS FOR CRISPR/CAS EDITING SYSTEMS BEAM THERAPEUTICS INC. (US) 2023-01-26 WO disclosed