SCHEMBL19617697

SCHEMBL19617697

COCOc1ccc2ccccc2c1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
CTSD P07339 1/20 0.35
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL31398419 1.00 SLC2A1 (0.38) SLC2A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL3469412 0.85 MAPT (0.47) MAPTSMN1; SMN2RAB9AHPGDCTSD
SCHEMBL7709361 0.83 MAPT (0.37) SLC2A1L3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL15285233 0.79 MAPT (0.47) L3MBTL1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6940112 0.76 TSHR (0.42) SLC2A1MAPTABCC9ABCC8KCNJ11
SCHEMBL7599032 0.76 DNMT1 (0.39) SLC2A1MAPTSMN1; SMN2RAB9AABCC9
SCHEMBL19617287 0.76 TDP1 (0.35) L3MBTL1SMN1; SMN2GAATDP1LMNA
SCHEMBL30560670 0.76 ELANE (0.43) MAPTSMN1; SMN2NPC1RAB9AGAA
Biphenyl SCHEMBL3921593 0.76 ACLY (0.44) SLC2A1MAPTSMN1; SMN2TDP1HPGD
SCHEMBL29625664 0.75 SLC2A1 (0.43) SLC2A1L3MBTL1MAPTSMN1; SMN2NPC1

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-3908283-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2021-11-17 EP disclosed
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 EP disclosed
WO-2020146613-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-07-16 WO disclosed
EP-3458445-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-03-27 EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 WO disclosed