SCHEMBL28049775

SCHEMBL28049775

O=C(O)C1=C(Nc2ccccc2Cl)CC(C(=O)O)C(Nc2ccccc2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CXCL8 P10145 1/20 0.38
▸ LDHA P00338 3/20 0.38
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.35

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
SCHEMBL1415627 0.78 MAPT (0.40) KMT2AMEN1POLBKDM4EGAA
SCHEMBL28049701 0.74 RAB9A (0.41) KMT2AMEN1POLBRAB9AKDM4E
SCHEMBL28049776 0.73 CXCL8 (0.49) KMT2AMEN1TSHRPOLBCYP2C19
SCHEMBL28049710 0.73 ALDH1A1 (0.49) KMT2AMEN1TSHRPOLBNPC1
SCHEMBL30575470 0.62 PBRM1 (0.75) KMT2AMEN1CYP2C19CXCL8MAPT
SCHEMBL4249088 0.62 PBRM1 (0.75) KMT2AMEN1CYP2C19CXCL8MAPT
SCHEMBL10903772 0.61 TSHR (0.66) KMT2AMEN1TSHRPOLBCYP2C19
SCHEMBL30832916 0.61 PBRM1 (0.58) KMT2AMEN1CYP2C19CXCL8MAPT
SCHEMBL6558595 0.61 PBRM1 (0.58) KMT2AMEN1CYP2C19CXCL8MAPT
SCHEMBL28297347 0.61 PBRM1 (0.73) KMT2AMEN1CYP2C19CXCL8MAPT

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-105189659-A Quinacridone pigment of low amine content and method for producing same DAINIPPON INK & CHEMICALS 2015-12-23 — — CN disclosed
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