SCHEMBL4037099

SCHEMBL4037099

COc1ccc(-c2csc(C)n2)cc1-c1c(C=O)cc(OC)c(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
RECQL P46063 3/20 0.49
GAA P10253 2/20 0.49
GFER P55789 1/20 0.49
ECE1 P42892 2/20 0.42
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ESR2 Q92731 1/20 0.40
PKM P14618 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.38
HSD17B10 Q99714 2/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL4042311 0.91 RECQL (0.46) MAPTRECQLGAAGFERECE1
SCHEMBL4041257 0.91 MAPT (0.46) MAPTRECQLGAAGFERECE1
SCHEMBL4038676 0.82 ALDH1A1 (0.48) MAPTRECQLGAAGFERALDH1A1
SCHEMBL7811998 0.81 MAPT (0.64) MAPTRECQLGAAGFERECE1
SCHEMBL4043062 0.78 ALDH1A1 (0.58) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL15225838 0.77 ALDH1A1 (0.50) MAPTALDH1A1POLBKDM4EMEN1
SCHEMBL15225975 0.77 ERN1 (0.51) ALDH1A1KDM4EHPGDLMNAHSD17B10
SCHEMBL4039660 0.77 ERN1 (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4038581 0.75 ALDH1A1 (0.47) MAPTGFERALDH1A1POLBKDM4E
SCHEMBL4041644 0.73 NPC1 (0.42) NPC1RAB9ALMNAERN1

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-2066632-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE Chong Kun Dang Pharmaceutical Corp. (KR) 2009-06-10 EP claimed
WO-2008038955-A1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2008-04-03 WO claimed