SCHEMBL6640347

SCHEMBL6640347

Cc1cccc(CSc2nc(N)cc(O)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TP53 P04637 2/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
THRB P10828 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
HTT P42858 2/20 0.45
PSMD14 O00487 1/20 0.45
CYP1A2 P05177 1/20 0.45
AGTR1 P30556 1/20 0.45
CYP2C19 P33261 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
SCHEMBL6636007 0.84 RAB9A (0.79) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1520770 0.84 RAB9A (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL6639637 0.83 RAB9A (0.81) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL6640141 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6354561 0.83 MEN1 (0.56) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6641196 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2L3MBTL1TP53
SCHEMBL6639098 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6643095 0.83 RAB9A (0.53) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL8182079 0.82 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL6642566 0.80 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP disclosed
EP-1247804-A1 Pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2002-10-09 EP disclosed