SCHEMBL5680237

SCHEMBL5680237

O=C(SCCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
IDO1 P14902 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
KEAP1 Q14145 1/20 0.48
HDAC1 Q13547 4/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46

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
SCHEMBL3106392 0.91 IDO1 (0.64) NOS1NPC1RAB9AIDO1TDP1
SCHEMBL1833158 0.89 CYP1A2 (0.53) NOS1NPC1RAB9AIDO1TDP1
SCHEMBL16047247 0.87 KMT2A (0.52) TDP1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL31131464 0.83 KMT2A (0.49) TDP1HDAC1HDAC3HDAC4HDAC7
SCHEMBL7909243 0.83 KMT2A (0.49) TDP1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL10952894 0.81 GSK3B (0.50) TDP1KMT2ASMN1; SMN2MAPK1ALDH1A1
Tibenzate SCHEMBL2110094 0.81 IDO1 (0.52) NOS1IDO1TDP1HDAC1HDAC3
SCHEMBL6830395 0.81 KMT2A (0.47) TDP1KMT2ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6549496 0.79 IDO1 (0.53) IDO1TDP1KMT2ASMN1; SMN2MAPK1
SCHEMBL8423263 0.79 KMT2A (0.46) TDP1HDAC1HDAC3HDAC4HDAC7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102492105-B Two-waveband dumbbell-shaped macromolecular ultraviolet absorbers and preparation method thereof UNIV NANTONG 2014-04-09 CN claimed
CN-102492105-A Two-waveband dumbbell-shaped macromolecular ultraviolet absorbers and a preparation method thereof UNIV NANTONG 2012-06-13 CN claimed
CN-102492105-B Two-waveband dumbbell-shaped macromolecular ultraviolet absorbers and preparation method thereof UNIV NANTONG 2014-04-09 CN disclosed
CN-102492105-A Two-waveband dumbbell-shaped macromolecular ultraviolet absorbers and a preparation method thereof UNIV NANTONG 2012-06-13 CN disclosed
US-7019033-B2 2-(4-bromo or 4-iodo phenylamino) benzoic acid derivatives WARNER-LAMBERT COMPANY (US) 2006-03-28 US disclosed