SCHEMBL8105812

SCHEMBL8105812

O=C1NC(c2ccccc2)(c2cccc(C(F)(F)F)c2)SC1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.40
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CCR2 P41597 2/20 0.38
TACR1 P25103 1/20 0.37
CHRM3 P20309 1/20 0.37
OPRM1 P35372 3/20 0.36
OPRL1 P41146 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 1/20 0.36
AR P10275 1/20 0.35
GRIN2B Q13224 1/20 0.35
CES2 O00748 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8099195 0.76 HCAR3 (0.36) HCAR3HCAR2CCR2TACR1OPRM1
SCHEMBL8103222 0.74 KDM1A (0.41) KDM1AHCAR3HCAR2CCR2CHRM3
SCHEMBL10728986 0.66 KDM1A (0.39) KDM1AHCAR3HCAR2CCR2TACR1
SCHEMBL10731891 0.64 HCAR3 (0.40) KDM1AHCAR3HCAR2CCR2TACR1
SCHEMBL11812241 0.63 SLC6A4 (0.47) KDM1ACCR2TACR1OPRM1OPRL1
SCHEMBL10468722 0.62 KDM1A (0.54) KDM1ACCR2OPRM1OPRL1GRIN2B
SCHEMBL8089737 0.62 PBRM1 (0.43) KDM1AMAPTHTTCES2LMNA
SCHEMBL11466478 0.62 HCAR3 (0.45) KDM1AHCAR3HCAR2CCR2OPRM1
SCHEMBL696251 0.61 AKR1C3 (0.67) KDM1ACCR2OPRM1OPRL1MAPT
SCHEMBL11811786 0.61 SLC6A4 (0.48) KDM1ACCR2OPRM1OPRL1MEN1

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
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed