SCHEMBL21338089

SCHEMBL21338089

Cc1cc(N)nc(SCc2c(C)cnn2C)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RCE1 Q9Y256 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL13067201 0.83 LMNA (0.38) ALDH1A1ATMSMN1; SMN2LMNAL3MBTL1
SCHEMBL1520825 0.69 RAB9A (0.78) RAB9ASMN1; SMN2NPC1L3MBTL1HTT
SCHEMBL844271 0.69 MEN1 (0.48) RAB9AALDH1A1ATMSMN1; SMN2NPC1
SCHEMBL21338287 0.69 MEN1 (0.45) RAB9AALDH1A1ATMSMN1; SMN2NPC1
SCHEMBL16998708 0.68 ALDH1A1 (0.38) RAB9AALDH1A1ATMSMN1; SMN2NPC1
SCHEMBL22304128 0.67 P2RX7 (0.33)
SCHEMBL27218809 0.65 RAB9A (0.46) RAB9ASMN1; SMN2NPC1LMNAL3MBTL1
SCHEMBL27218904 0.65 LOXL2 (0.47) RAB9ASMN1; SMN2NPC1LMNAHPGD
SCHEMBL844198 0.65 MEN1 (0.53) RAB9AALDH1A1ATMSMN1; SMN2NPC1
SCHEMBL8018804 0.64 KMT2A (0.49) RAB9AALDH1A1LMNAHPGDKDM4E

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
EP-2432776-B1 METHYL SULFANYL PYRIMIDINES USEFUL AS ANTIINFLAMMATORIES, ANALGESICS, AND ANTIEPILEPTICS UNIV LAVAL (CA) 2019-09-11 EP disclosed