SCHEMBL8874397

SCHEMBL8874397

CCSc1cc(OC(F)(F)F)nc(N)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
TSHR P16473 3/20 0.38
HSP90AA1 P07900 2/20 0.34
LMNA P02545 3/20 0.33
NPC1 O15118 3/20 0.33
NUDT1 P36639 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSP90AB1 P08238 2/20 0.33
POLB P06746 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP2C9 P11712 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL8874168 0.88 KMT2A (0.41) KMT2ATSHRHSP90AA1LMNANPC1
SCHEMBL8873520 0.82 HSP90AA1 (0.33) HSP90AA1LMNANPC1NUDT1CYP1A2
SCHEMBL7933970 0.77 HSP90AA1 (0.38) KMT2AHSP90AA1LMNANPC1NUDT1
SCHEMBL8873887 0.76 NPC1 (0.50) HSP90AA1LMNANPC1NUDT1CYP1A2
SCHEMBL14879957 0.73 NUDT1 (0.54) TSHRHSP90AA1NPC1NUDT1MAPT
SCHEMBL7804008 0.73 NPC1 (0.46) HSP90AA1LMNANPC1NUDT1L3MBTL1
SCHEMBL8873492 0.72 PGK1 (0.40) NPC1NUDT1CYP1A2CYP2C19RAB9A
SCHEMBL13744682 0.71 TSHR (0.59) KMT2ATSHRHSP90AA1LMNANPC1
SCHEMBL7806796 0.71 KMT2A (0.45) KMT2AHSP90AA1LMNANPC1NUDT1
SCHEMBL8874417 0.70 GABRP (0.32) KMT2AHSP90AA1NUDT1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591694-A COMPOUND USED TO CONTROL UNDESIRABLE PLANT GROWTH BASF AKTIENGESELLSCHAFT (DE) 1997-01-07 US disclosed
EP-0446743-B1 Herbicidal sulfonylureas, process for their preparation and intermediates BASF AG (DE) 1995-08-02 EP disclosed
EP-0600967-B1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AG (DE) 1995-04-19 EP disclosed
EP-0600967-A1 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME. BASF AG (DE) 1994-06-15 EP disclosed
US-5276007-A Herbicidal sulfonylureas BASF AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
WO-1993005048-A2 HERBICIDAL SULPHONYL UREAS, PROCESS AND INTERMEDIATES FOR PRODUCING THE SAME BASF AKTIENGESELLSCHAFT (DE) 1993-03-18 WO disclosed
EP-0446743-A2 Herbicidal sulfonylureas, process for their preparation and intermediates BASF Aktiengesellschaft (DE) 1991-09-18 EP disclosed