SCHEMBL8052908

SCHEMBL8052908

Cc1ccc(C(C#N)(CCCCCC(=O)NOC(=O)c2ccccc2)c2ccc(C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HDAC3 O15379 7/20 0.39
HDAC1 Q13547 7/20 0.39
HDAC2 Q92769 6/20 0.39
HDAC8 Q9BY41 5/20 0.39
HDAC10 Q969S8 5/20 0.39
HDAC4 P56524 4/20 0.39
HDAC7 Q8WUI4 4/20 0.39
HDAC11 Q96DB2 4/20 0.39
HDAC6 Q9UBN7 4/20 0.39
HDAC9 Q9UKV0 4/20 0.39
HDAC5 Q9UQL6 4/20 0.39
TDP1 Q9NUW8 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
KCNA3 P22001 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL8049747 0.92 CYP3A4 (0.43) KMT2AALDH1A1POLBMAPTHDAC3
SCHEMBL8044655 0.92 CYP3A4 (0.43) KMT2AALDH1A1POLBMAPTHDAC3
SCHEMBL8044657 0.90 CCR1 (0.43) KMT2AALDH1A1POLBMAPTHDAC3
SCHEMBL8035617 0.89 KMT2A (0.40) KMT2AALDH1A1POLBMAPTHDAC3
SCHEMBL8433999 0.84 ALDH1A1 (0.46) ALDH1A1MAPTHDAC3HDAC1HDAC2
SCHEMBL8050105 0.84 HDAC3 (0.38) KMT2AALDH1A1HDAC3HDAC1HDAC2
SCHEMBL8047487 0.82 HDAC6 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC10
SCHEMBL8044965 0.80 OPRM1 (0.43) HDAC6KCNA3RAB9ACYP3A4CYP2C9
SCHEMBL8045183 0.80 OPRM1 (0.43) HDAC6KCNA3RAB9ACYP3A4CYP2C9
SCHEMBL8045631 0.79 HDAC6 (0.39) KMT2AALDH1A1POLBMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749957-B1 Aromatic hydroxamic acid compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-04-26 EP disclosed
US-5891916-A ANTINEUROGEGERATIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-04-06 US disclosed
EP-0749957-A1 Aromatic hydroxamic acid compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1996-12-27 EP disclosed