SCHEMBL9705676

SCHEMBL9705676

Cc1cc(CCCC(C)Br)on1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NR1I2 O75469 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
IGF1R P08069 5/20 0.34
FGFR1 P11362 5/20 0.34
KDR P35968 5/20 0.34
PYCR1 P32322 1/20 0.33
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
INSR P06213 3/20 0.31
EPHX2 P34913 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PPARA Q07869 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
SCHEMBL9705933 0.95 VHL (0.42) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL1320486 0.78 VHL (0.47) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL1078939 0.78 MEN1 (0.43) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL9667721 0.77 MEN1 (0.42) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL10262683 0.76 MEN1 (0.44) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL9666007 0.75 NR1I2 (0.41) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL8539204 0.75 NR1I2 (0.41) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL9667987 0.75 NR1I2 (0.41) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL9436389 0.75 NR1I2 (0.41) VHLMEN1KMT2ANR1I2CYP3A4
SCHEMBL8875498 0.75 NR1I2 (0.41) VHLMEN1KMT2ANR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0207454-B1 ISOXAZOLE AND FURAN DERIVATIVES, THEIR PREPARATION AND USE AS ANTIVIRAL AGENTS STERLING WINTHROP INC. (US) 1992-09-09 EP disclosed
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed
EP-0207454-A2 Isoxazole and furan derivatives, their preparation and use as antiviral agents STERLING WINTHROP INC. (US) 1987-01-07 EP disclosed