SCHEMBL8524420

SCHEMBL8524420

Clc1ccc(-c2ccccc2)cc1.O=C(O)C(=O)CCCSc1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.48
HDAC2 Q92769 3/20 0.48
MMP2 P08253 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HAO1 Q9UJM8 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 1/20 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
SCHEMBL8524729 0.79 RAB9A (0.49) HDAC1HDAC2MMP2ALDH1A1KMT2A
SCHEMBL7402404 0.78 HDAC1 (0.72) HDAC1HDAC2ALDH1A1HAO1RAB9A
SCHEMBL8525575 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HDAC6KDM4E
SCHEMBL8482201 0.74 CES2 (0.51) HDAC1HDAC2MMP2ALDH1A1HAO1
SCHEMBL8485994 0.73 HDAC3 (0.48) HDAC1HDAC2MMP2HAO1HDAC3
SCHEMBL8484815 0.72 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8480256 0.72 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL8408930 0.72 L3MBTL1 (0.56) HDAC1HDAC2HAO1KMT2AMEN1
SCHEMBL8408111 0.70 L3MBTL1 (0.59) HDAC1HDAC2HAO1KMT2AMEN1
SCHEMBL8409999 0.70 L3MBTL1 (0.59) HDAC1HDAC2HAO1KMT2AMEN1

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
US-5874473-A OSTEOPOROSIS; ANTIARTHRITIC AGENTS BAYER CORPORATION (US) 1999-02-23 US disclosed