SCHEMBL7362748

SCHEMBL7362748

[CH2]COc1ccc2ccccc2c1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
RXFP1 Q9HBX9 3/20 0.50
PRNP P04156 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 5/20 0.48
POLB P06746 3/20 0.48
MAPK1 P28482 3/20 0.48
KMT2A Q03164 2/20 0.48
TP53 P04637 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL26622001 0.81 RAB9A (0.55) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL10398634 0.81 MAPT (0.57) RAB9ASMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL30618849 0.81 HPGD (0.58) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL4736696 0.80 MAPT (0.51) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL7362839 0.79 MAPT (0.50) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL29937151 0.79 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL5654886 0.79 RAB9A (0.60) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL30822036 0.79 RAB9A (0.60) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL12370653 0.79 MAPT (0.50) RAB9ASMN1; SMN2HPGDRXFP1PRNP
SCHEMBL7362843 0.79 HTR1B (0.64) RAB9ASMN1; SMN2HPGDRXFP1PRNP

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
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
WO-1997007131-A1 ACYLATED OLIGOPEPTIDES CONTAINING PHOSPHOTYROSINE AS INHIBITORS OF PROTEIN TYROSINE KINASES NOVARTIS AG (CH) 1997-02-27 WO disclosed