SCHEMBL24525034

SCHEMBL24525034

OCC(CS)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.41
CTRB1 P17538 2/20 0.41
LTA4H P09960 1/20 0.39
CPA3 P15088 1/20 0.39
FOLH1 Q04609 1/20 0.39
IDO1 P14902 2/20 0.39
ANPEP P15144 1/20 0.38
AGXT P21549 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL24525033 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL24337770 1.00 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL227684 0.88 TSHR (0.48) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL7332107 0.82 TRPA1 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL7332119 0.82 TRPA1 (0.47) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL11563306 0.81 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL6379469 0.81 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL28376888 0.81 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL11197240 0.81 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19
SCHEMBL28576014 0.81 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CYP1A2CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4217071-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2023-08-02 EP disclosed
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 EP disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed