SCHEMBL28420183

SCHEMBL28420183

O=C(CF)Nc1cccc(NC(=O)CF)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
POLB P06746 2/20 0.56
NR4A1 P22736 1/20 0.56
RAB9A P51151 1/20 0.56
GAA P10253 3/20 0.55
MAPT P10636 2/20 0.55
GPR35 Q9HC97 1/20 0.52
LMNA P02545 1/20 0.50
MAP2K7 O14733 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48
BTK Q06187 2/20 0.48
ITK Q08881 2/20 0.48
F2R P25116 1/20 0.47

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
SCHEMBL11802382 0.88 ALDH1A1 (0.59) KMT2AMEN1RAB9AMAPTLMNA
SCHEMBL7968814 0.88 MEN1 (0.79) KMT2AMEN1POLBRAB9AGAA
SCHEMBL27641820 0.87 GAA (0.70) KMT2AMEN1RAB9AGAAMAPT
SCHEMBL9427642 0.87 DDX3X (0.65) KMT2AMEN1POLBNR4A1RAB9A
SCHEMBL9403861 0.87 MEN1 (0.65) KMT2AMEN1RAB9AMAPTLMNA
SCHEMBL15259150 0.87 HPGD (0.66) KMT2AMEN1POLBRAB9A
SCHEMBL6692876 0.85 NPC1 (0.57) KMT2AMEN1POLBRAB9AMAPT
SCHEMBL31444807 0.85 NPC1 (0.57) KMT2AMEN1POLBRAB9AMAPT
SCHEMBL2781923 0.84 EPHX2 (0.61) KMT2AMEN1GAAMAPT
SCHEMBL26627751 0.84 MAPT (0.72) KMT2AMEN1RAB9AGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333513-B Preparation method of 2,4-difluoro-3-nitrobenzoic acid 江苏恒沛药物科技有限公司 2021-08-27 CN disclosed
CN-111333513-A Preparation method of 2,4-difluoro-3-nitrobenzoic acid 江苏恒沛药物科技有限公司 2020-06-26 CN disclosed