SCHEMBL7987848

SCHEMBL7987848

CCS(=O)(=O)NC(=O)c1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
POLB P06746 1/20 0.59
GAA P10253 1/20 0.58
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KAT6A Q92794 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL7991909 0.89 HPGD (0.56) HPGDPOLBGAAHDAC3HDAC1
SCHEMBL365236 0.82 HPGD (0.65) HPGDPOLBGAACES2CES1
SCHEMBL7991060 0.81 F2R (0.46) HPGDGAAHDAC3HDAC1KDM4E
SCHEMBL7973404 0.81 FLT1 (0.56) HPGDPOLBGAAMEN1KMT2A
SCHEMBL7974323 0.79 ALDH1A1 (0.53) HPGDMEN1KMT2AKDM4EALDH1A1
SCHEMBL7973194 0.79 FLT1 (0.58) HPGDPOLBCES2CES1KMT2A
SCHEMBL28018539 0.79 HPGD (0.65) HPGDPOLBGAACES2CES1
SCHEMBL28176145 0.78 HPGD (0.59) HPGDPOLBGAAMEN1KMT2A
SCHEMBL3676531 0.78 HPGD (0.55) HPGDPOLBGAAHDAC3HDAC1
SCHEMBL7973351 0.77 CTSD (0.63) HPGDGAAALDH1A1NPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 EP disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
US-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed