SCHEMBL9624875

SCHEMBL9624875

O=C(c1ccccc1)c1cccc(Sc2ccccc2C(=O)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SIRT1 Q96EB6 1/20 0.51
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PBRM1 Q86U86 1/20 0.46
AKR1C3 P42330 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
PTGS1 P23219 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
PTGS2 P35354 2/20 0.41

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
SCHEMBL2129013 0.88 SIRT1 (0.65) TDP1ATML3MBTL1SIRT1HPGD
SCHEMBL26068033 0.86 SLC6A9 (0.48) TDP1ATML3MBTL1SIRT1HSD17B10
SCHEMBL9625444 0.85 SIRT1 (0.56) TDP1ATML3MBTL1SIRT1HPGD
SCHEMBL29363502 0.83 ATM (0.65) TDP1ATML3MBTL1HSD17B10HPGD
SCHEMBL5317255 0.83 ATM (0.65) TDP1ATML3MBTL1HSD17B10HPGD
SCHEMBL9625706 0.82 AKR1C3 (0.59) TDP1ATML3MBTL1SIRT1CYP2C9
SCHEMBL1447741 0.82 KDM4E (0.59) TDP1SIRT1HSD17B10HPGDCYP1A2
SCHEMBL1127672 0.81 SIRT1 (0.56) TDP1ATML3MBTL1SIRT1HPGD
Acetophenone SCHEMBL28395442 0.81 ALDH1A1 (0.59) TDP1L3MBTL1SIRT1HPGDAKR1C3
SCHEMBL14653057 0.80 SRD5A2 (0.54) SIRT1POLBMAPTGAALMNA

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-0279217-B1 PROCESS FOR THE PREPARATION OF POLY(ARYLENSULFIDES) WITH ADJUSTABLE MELT VISCOSITY BAYER AG (DE) 1992-03-11 EP disclosed