SCHEMBL27979591

SCHEMBL27979591

O=C(Nc1ccc(C[SH](=O)=O)cc1)Oc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.64
ALDH1A1 P00352 7/20 0.60
MAPT P10636 5/20 0.60
RAD51 Q06609 1/20 0.59
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
KDM4E B2RXH2 3/20 0.56
THRB P10828 2/20 0.56
GFER P55789 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 4/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BCHE P06276 1/20 0.52
FAAH O00519 6/20 0.52
HPGD P15428 1/20 0.52
USP2 O75604 1/20 0.50
ADRB1 P08588 1/20 0.50

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
SCHEMBL25680688 0.90 RAB9A (0.56) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL4733152 0.86 ALDH1A1 (0.66) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL12549885 0.84 RAB9A (0.88) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL27543086 0.84 CYP1A2 (0.58) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL983506 0.84 ALDH1A1 (0.68) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL8063648 0.83 ALDH1A1 (0.82) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL9359349 0.81 ALDH1A1 (0.64) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL6268237 0.81 ALDH1A1 (0.64) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL16192982 0.81 ALDH1A1 (0.64) RAB9AALDH1A1MAPTRAD51KMT2A
SCHEMBL18383716 0.80 RAB9A (0.63) RAB9AALDH1A1MAPTRAD51KMT2A

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
CN-104177320-B A kind of urea substituted biphenyl compounds and composition thereof and purposes SUNSHINE LAKE PHARMA CO.,LTD. (CN) 2016-03-02 CN disclosed
CN-104177320-A Novel carbamide substituted biphenyl compound, composition and application thereof GUANGDONG HEC PHARMACEUTICAL 2014-12-03 CN disclosed