SCHEMBL18937477

SCHEMBL18937477

OC1COc2cc(Br)ccc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
AHR P35869 3/20 0.35
ADRA2A P08913 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 1/20 0.34
PLA2G1B P04054 1/20 0.34
GAPDH P04406 1/20 0.34
POLB P06746 1/20 0.34
HSPA1A P0DMV8 1/20 0.34
MIF P14174 1/20 0.34
PTPN7 P35236 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
CA2 P00918 1/20 0.34
PYGL P06737 1/20 0.31
NR3C2 P08235 1/20 0.31

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
SCHEMBL10197527 0.79 AR (0.40) BLMLMNAMAPTHTTAHR
SCHEMBL34463405 0.79 AR (0.40) BLMLMNAMAPTHTTAHR
SCHEMBL19423744 0.79 CYP19A1 (0.38) BLMMAPTADRA2AMEN1KMT2A
SCHEMBL20888295 0.79 CYP19A1 (0.38) BLMMAPTADRA2AMEN1KMT2A
SCHEMBL19423528 0.76 CYP3A4 (0.34)
SCHEMBL28384551 0.76 CYP19A1 (0.35) BLMLMNAMAPTHTTAHR
SCHEMBL17363828 0.75 FFAR1 (0.40) BLMMEN1KMT2ACYP19A1PLA2G1B
SCHEMBL17363943 0.75 FFAR1 (0.40) BLMMEN1KMT2ACYP19A1PLA2G1B
SCHEMBL17363928 0.75 FFAR1 (0.40) BLMMEN1KMT2ACYP19A1PLA2G1B
SCHEMBL19429589 0.74 GAA (0.46) LMNAMAPTHTTADRA2AMEN1

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
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 EP disclosed
WO-2017093545-A1 ANTI-BACTERIAL COMPOUNDS BASED ON AMINO-GOLD PHOSPHINE COMPLEXES AUSPHERIX LIMITED (GB) 2017-06-08 WO disclosed