SCHEMBL3935646

SCHEMBL3935646

NC(=O)Cc1c(F)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
TAAR1 Q96RJ0 1/20 0.56
MAPK8 P45983 1/20 0.55
BACE1 P56817 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 2/20 0.54
TP53 P04637 1/20 0.54
GAA P10253 1/20 0.53
RAB9A P51151 2/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 1/20 0.50
AKR1B1 P15121 1/20 0.50
NPC1 O15118 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 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
SCHEMBL6390159 0.86 MAPK8 (0.49) KMT2AMAPTTAAR1MAPK8BACE1
SCHEMBL1395814 0.86 AKR1B1 (0.65) KMT2AMAPTTAAR1BACE1SMN1; SMN2
Hydrochloric Acid SCHEMBL5297667 0.84 ADRA2A (0.65) KMT2AMAPTTAAR1BACE1SMN1; SMN2
SCHEMBL29570152 0.83 AKR1B1 (0.74) KMT2AMAPTTAAR1SMN1; SMN2KDM4E
SCHEMBL1885453 0.83 MAPT (0.59) KMT2AMAPTTAAR1SMN1; SMN2KDM4E
SCHEMBL1285811 0.83 AKR1B1 (0.74) KMT2AMAPTTAAR1SMN1; SMN2KDM4E
SCHEMBL4532658 0.81 MAPT (0.58) KMT2AMAPTTAAR1SMN1; SMN2KDM4E
SCHEMBL20548686 0.81 BACE1 (0.63) KMT2AMAPTTAAR1MAPK8BACE1
SCHEMBL4299881 0.81 SMN1; SMN2 (0.65) KMT2AMAPTMAPK8SMN1; SMN2RAB9A
SCHEMBL4324882 0.80 MAPT (0.50) KMT2AMAPTTAAR1MAPK8BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901642-B Fused ring compound and application thereof 武汉朗来科技发展有限公司 2024-02-23 CN disclosed
WO-2022161416-A1 AROMATIC COMPOUND, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2022-08-04 WO disclosed
WO-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed
EP-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-2308872-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed
WO-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed