SCHEMBL31107906

SCHEMBL31107906

CC(C)(C)OC(=O)Nc1cc(Br)c2c(c1)NC(=O)CO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TRPV1 Q8NER1 5/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MALT1 Q9UDY8 1/20 0.36
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PSMB8 P28062 1/20 0.34
▸ PRKDC P78527 1/20 0.34

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
SCHEMBL25166071 1.00 BRD4 (0.40) BRD4CREBBPKMT2AMEN1HPGD
SCHEMBL25166094 0.87 BRD4 (0.41) BRD4CREBBPKMT2ATRPV1CA12
SCHEMBL31107949 0.87 BRD4 (0.41) BRD4CREBBPKMT2ATRPV1CA12
SCHEMBL25165968 0.85 BRD4 (0.40) BRD4CREBBPKMT2AMEN1TRPV1
SCHEMBL30329861 0.85 BRD4 (0.40) BRD4CREBBPKMT2AMEN1TRPV1
SCHEMBL30674772 0.79 ALDH1A1 (0.59) KMT2AMEN1TRPV1ALDH1A1MAPT
SCHEMBL29120487 0.79 ALDH1A1 (0.59) KMT2AMEN1TRPV1ALDH1A1MAPT
SCHEMBL8865861 0.76 TRPV1 (0.59) BRD4CREBBPKMT2ATRPV1CA12
SCHEMBL25166072 0.75 ACHE (0.43) ALDH1A1MALT1
SCHEMBL28998391 0.73 ALDH1A1 (0.44) ALDH1A1MAPTPDE3BPDE3APOLB

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-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 — — CN disclosed
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