SCHEMBL9266403

SCHEMBL9266403

Cc1cc(C2=CN3c4ccccc4SC3N2CC(=O)O)c(C)s1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR1A P08908 3/20 0.32
▸ TP53 P04637 1/20 0.31
▸ PPARG P37231 1/20 0.31

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
SCHEMBL9271818 0.83 PRNP (0.31) MEN1KMT2A
SCHEMBL9259658 0.73 SIGMAR1 (0.31) —
SCHEMBL9569380 0.71 GSK3B (0.34) MEN1KMT2APPARG
SCHEMBL9569336 0.70 BACE1 (0.36) KDM4EMEN1MAPTKMT2ATP53
SCHEMBL9569405 0.67 EGFR (0.43) KDM4EMEN1MAPTKMT2ATP53
SCHEMBL10462307 0.66 BCHE (0.32) MAPTPPARG
SCHEMBL9569373 0.66 GSK3B (0.36) SMN1; SMN2MEN1MAPTKMT2ATP53
SCHEMBL9569356 0.66 CACNA1C (0.39) KDM4EMAPTTP53PPARG
Hydrochloric Acid SCHEMBL7336594 0.65 BCHE (0.31) PPARG
SCHEMBL10464588 0.65 BCHE (0.40) MEN1KMT2AHTR1A

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-5418248-A Anticonvulsant, auxiolytic SYNTHELABO (FR) 1995-05-23 — — US disclosed
Send feedback