SCHEMBL8025501

SCHEMBL8025501

O=c1cc(-c2ccccc2Br)oc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.67
NPC1 O15118 5/20 0.67
RAB9A P51151 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
AKR1C3 P42330 1/20 0.67
AKR1C2 P52895 1/20 0.67
AKR1C1 Q04828 1/20 0.67
TNKS O95271 6/20 0.62
CYP3A4 P08684 4/20 0.61
TP53 P04637 3/20 0.61
MEN1 O00255 3/20 0.61
CYP2C9 P11712 3/20 0.61
CYP2C19 P33261 3/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP2D6 P10635 2/20 0.61
MAPT P10636 2/20 0.61
ALOX15 P16050 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
ALOX12 P18054 1/20 0.61

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
SCHEMBL6659822 0.82 ALDH1A1 (0.66) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL4634256 0.81 HPGD (0.73) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL1423180 0.80 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL312255 0.80 AKR1C3 (1.00) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL31061270 0.80 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL25186939 0.80 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL87773 0.80 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL3205778 0.80 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL2436664 0.80 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3
SCHEMBL530293 0.80 HPGD (0.67) HPGDNPC1RAB9ASMN1; SMN2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102140087-B Synthetic method for chromone compound UNIV TSINGHUA 2013-02-13 CN disclosed
CN-102140087-A Synthetic method for chromone compound UNIV TSINGHUA 2011-08-03 CN disclosed
EP-0973516-A1 USE OF HALO AND/OR NITRO-SUBSTITUTED FLAVONOIDS AS ANXYOLITICS University of Strathclyde (GB) 2000-01-26 EP disclosed
WO-1998044920-A1 USE OF HALO AND/OR NITRO-SUBSTITUTED FLAVONOIDS AS ANXYOLITICS UNIVERSITY OF STRATHCLYDE (GB) 1998-10-15 WO disclosed