SCHEMBL6277474

SCHEMBL6277474

COc1cccc(O)c1C1NN=C(c2ccc(C)cc2)S1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.58
ALDH1A1 P00352 8/20 0.58
RAB9A P51151 6/20 0.58
NPC1 O15118 5/20 0.58
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
GAA P10253 4/20 0.53
HPGD P15428 3/20 0.53
ATM Q13315 1/20 0.53
POLB P06746 2/20 0.50
MECP2 P51608 3/20 0.47
MBD2 Q9UBB5 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.36

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
SCHEMBL6274998 0.73 RAB9A (0.67) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL2109517 0.64 NR1H2 (0.43) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL744730 0.62 L3MBTL1 (0.62) MAPTALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL22001702 0.62 RAB9A (0.51) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL2047875 0.61 TP53 (0.55) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL1045908 0.60 TNKS (0.46) MAPTALDH1A1RAB9AKDM4EHPGD
Guaiacol SCHEMBL28849222 0.59 TP53 (0.72) MAPTALDH1A1RAB9AKDM4EGAA
SCHEMBL5480007 0.59 ABCB1 (0.53) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4425113 0.59 SYK (0.56) MAPTALDH1A1RAB9ANPC1KDM4E
SCHEMBL24715480 0.58 LMNA (0.50) MAPTALDH1A1NPC1KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 WO claimed
WO-2005092304-A2 ANTIFUNGAL AGENTS F2G LTD (GB) 2005-10-06 WO disclosed