SCHEMBL30753729

SCHEMBL30753729

NCCC[C@H](N)C(=O)N[C@H](CC(=O)Nc1cnc2ccccc2c1)Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ HDAC6 Q9UBN7 8/20 0.43
▸ HDAC1 Q13547 8/20 0.43
▸ HDAC2 Q92769 8/20 0.43
▸ HDAC3 O15379 7/20 0.43
▸ HDAC4 P56524 7/20 0.43
▸ HDAC7 Q8WUI4 7/20 0.43
▸ HDAC10 Q969S8 7/20 0.43
▸ HDAC11 Q96DB2 7/20 0.43
▸ HDAC8 Q9BY41 7/20 0.43
▸ HDAC9 Q9UKV0 7/20 0.43
▸ HDAC5 Q9UQL6 7/20 0.43
▸ TMPRSS4 Q9NRS4 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40

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
SCHEMBL30753716 0.93 HDAC6 (0.48) MEN1KMT2AHDAC6HDAC1HDAC2
SCHEMBL30753713 0.91 BDKRB2 (0.46) POLBHDAC6HDAC1HDAC2HDAC3
SCHEMBL30753732 0.89 TRPV1 (0.49) MEN1KMT2AHDAC6HDAC1HDAC2
SCHEMBL30753708 0.89 HDAC1 (0.41) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL30753699 0.88 LTA4H (0.51) HDAC6HDAC1HDAC2HDAC3HDAC4
SCHEMBL30753730 0.80 MC4R (0.45) POLBMEN1KMT2A
SCHEMBL1244207 0.79 SCN9A (0.51) POLBMEN1KMT2AHDAC6HDAC1
SCHEMBL30753720 0.79 RAB9A (0.47) POLBMEN1KMT2A
SCHEMBL30753700 0.79 SMN1; SMN2 (0.47) POLBMEN1KMT2A
SCHEMBL1244196 0.79 BDKRB2 (0.48) HDAC6HDAC1HDAC2HDAC3HDAC4

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-117486762-A Novel compound and use method and application thereof 中国医学科学院医药生物技术研究所 2024-02-02 — — CN disclosed
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