SCHEMBL9589486

SCHEMBL9589486

Cc1ccc2oc(=O)n(CCBr)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.37
CD74 P04233 1/20 0.37
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
KMO O15229 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IDO1 P14902 1/20 0.33
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
PTK2B Q14289 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6266360 0.82 THRB (0.40) MIFCD74KMT2AMEN1ALDH1A1
SCHEMBL9591350 0.79 TMEM97 (0.53) ALDH1A1KDM4EL3MBTL1
SCHEMBL17813554 0.77 NOS1 (0.36) MIFCD74KMT2APOLBMEN1
SCHEMBL9589803 0.74 KDM4E (0.58) MIFKMT2APOLBALDH1A1KDM4E
SCHEMBL2542484 0.72 POLB (0.50) MIFCD74KMT2APOLBMEN1
SCHEMBL16141179 0.71 ALDH1A1 (0.64) MIFCD74KMT2APOLBMEN1
SCHEMBL12241213 0.69 TNIK (0.40) MIFCD74KMT2AALDH1A1KDM4E
SCHEMBL2544405 0.69 POLB (0.45) MIFCD74KMT2APOLBMEN1
SCHEMBL2542519 0.68 POLB (0.43) MIFCD74KMT2APOLBMEN1
SCHEMBL2544400 0.68 TNIK (0.55) MIFCD74KMT2APOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190960-A Analgesics ADIR ET COMPAGNIE (FR) 1993-03-02 US disclosed
US-5155116-A Analgesics devoid of antiinflammatory activity ADIR ET COMPAGNIE (FR) 1992-10-13 US disclosed