SCHEMBL28173271

SCHEMBL28173271

CNC(=O)c1ccc(Oc2ccccc2)cc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 5/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC3 O15379 3/20 0.49
HDAC4 P56524 3/20 0.49
HDAC1 Q13547 3/20 0.49
HDAC7 Q8WUI4 3/20 0.49
HDAC2 Q92769 3/20 0.49
HDAC10 Q969S8 3/20 0.49
HDAC11 Q96DB2 3/20 0.49
HDAC6 Q9UBN7 3/20 0.49
HDAC9 Q9UKV0 3/20 0.49
HDAC5 Q9UQL6 3/20 0.49
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SRD5A2 P31213 1/20 0.44
ERN1 O75460 1/20 0.44
CHEK2 O96017 1/20 0.44
KDR P35968 2/20 0.43

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
SCHEMBL29957646 0.82 ERN1 (0.56) HPGDERN1MAPK1GAAKMT2A
SCHEMBL28850113 0.81 PARP10 (0.53) SMN1; SMN2ERN1CHEK2LMNAGAA
SCHEMBL522068 0.78 PTGS2 (0.51) HPGDTSHRHTTSMN1; SMN2SRD5A2
SCHEMBL20439234 0.78 NR1H4 (0.56) BRAFHDAC8HDAC3HDAC4HDAC1
SCHEMBL92217 0.78 NR4A2 (0.51) ERN1GAAKMT2A
SCHEMBL29953745 0.76 KAT2B (0.43) ERN1
SCHEMBL728983 0.74 GAA (0.55) TSHRLMNAGAAKMT2APOLB
SCHEMBL6093640 0.73 ERN1 (0.61) TSHRERN1LMNAGAAKMT2A
SCHEMBL11287841 0.73 ALDH1A1 (0.40) HPGDTSHRSMN1; SMN2GAA
SCHEMBL29955638 0.73 EGFR (0.42) HPGDTSHRSMN1; SMN2GFERGAA

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
CN-107188875-A A kind of Preparation Method And Their Intermediate of substituted benzene phthalein compounds 联化科技股份有限公司 2017-09-22 CN disclosed