SCHEMBL9207312

SCHEMBL9207312

O=C1SCCN1c1cccc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
RECQL P46063 1/20 0.33
KDM1A O60341 1/20 0.33
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL6360683 0.75 MEN1 (0.54) CNR1DDB1CRBNALDH1A1HPGD
SCHEMBL9199607 0.72 DRD2 (0.50)
SCHEMBL18656564 0.66 ADRA2C (0.61) RECQLALDH1A1MAPTMEN1KMT2A
SCHEMBL18642123 0.65 HTR7 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1634168 0.65 NR1H3 (0.53) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL18656551 0.65 ADRA2C (0.42) CYP1A2CYP3A4CYP2C9CYP2C19KDM1A
SCHEMBL22984284 0.65 VCP (0.46) ALDH1A1MAPT
SCHEMBL1966415 0.63 KDM1A (0.48) KDM1AAKR1C3AKR1C2
SCHEMBL17460135 0.62 DDB1 (0.49) CNR1CYP3A4RECQLDDB1CRBN
SCHEMBL9064173 0.61 ALOX5 (0.50) CYP1A2CYP3A4CYP2C19ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed