SCHEMBL2582284

SCHEMBL2582284

Cn1cc(Cl)c(C(N)=O)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 3/20 0.49
MAPT P10636 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 5/20 0.48
NPC1 O15118 3/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
ALPL P05186 2/20 0.43

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
Formic Acid SCHEMBL2588763 0.93 KMT2A (0.48) LMNATSHRSMN1; SMN2KMT2AMAPT
SCHEMBL19098788 0.83 LMNA (0.54) LMNATSHRSMN1; SMN2KMT2AMAPT
SCHEMBL13836303 0.82 LMNA (0.53) LMNATSHRSMN1; SMN2KMT2AMAPT
SCHEMBL982875 0.82 LMNA (0.53) LMNATSHRSMN1; SMN2KMT2AMAPT
SCHEMBL985062 0.78 KMT2A (0.59) LMNATSHRSMN1; SMN2KMT2AMAPT
SCHEMBL3081863 0.78 ADORA2A (0.49) LMNAKMT2AMAPTCASP3SENP8
SCHEMBL1833232 0.78 ADORA2A (0.49) LMNAADORA2AADORA1IRAK4KDM4E
SCHEMBL1703833 0.78 ADORA2A (0.53) LMNAKMT2AADORA2AADORA1HSD17B10
SCHEMBL31759474 0.78 ADORA2A (0.49) LMNASMN1; SMN2KMT2ARAB9AADORA2A
SCHEMBL1359128 0.76 SMN1; SMN2 (0.50) LMNASMN1; SMN2KMT2AMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3463359-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT Purdue Pharma LP (US) 2019-04-10 EP disclosed
WO-2017210616-A1 TRACE AMINE ASSOCIATED RECEPTOR 1 AGONISTS AND PARTIAL AGONISTS FOR PAIN TREATMENT PURDUE PHARMA L.P. (US) 2017-12-07 WO disclosed
EP-2566855-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2013-03-13 EP disclosed
WO-2011138293-A1 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-10 WO disclosed