SCHEMBL8624741

SCHEMBL8624741

N#Cc1ccc(CNOCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.57
HRAS P01112 1/20 0.54
LOXL2 Q9Y4K0 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
MAOA P21397 3/20 0.46
KDM1A O60341 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 1/20 0.45
AR P10275 1/20 0.44
GHSR Q92847 1/20 0.43
TSHR P16473 1/20 0.42
CYP19A1 P11511 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL10776729 0.86 HRAS (0.68) HRASNPC1RAB9AGAABCHE
SCHEMBL206646 0.84 HRAS (0.65) HRASNPC1RAB9ABCHETSHR
Hydrochloric Acid SCHEMBL6967279 0.82 HRAS (0.62) HRASNPC1RAB9AGAABCHE
SCHEMBL7062567 0.78 MAOB (0.69) MAOBLOXL2SMN1; SMN2NPC1RAB9A
Methyl Alcohol SCHEMBL27462113 0.78 HRAS (0.64) HRASSMN1; SMN2NPC1RAB9AGAA
SCHEMBL8897410 0.78 LOXL2 (0.61) MAOBLOXL2MAOAKDM1ABCHE
SCHEMBL10802765 0.77 HRAS (0.58) HRASSMN1; SMN2NPC1RAB9AGAA
SCHEMBL13793595 0.77 CYP2A6 (0.53) MAOBLOXL2SMN1; SMN2NPC1RAB9A
SCHEMBL8339266 0.77 HRAS (0.54) HRASNPC1RAB9ABCHETSHR
SCHEMBL27762312 0.75 MAOB (0.56) MAOBLOXL2SMN1; SMN2NPC1RAB9A

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-0689549-B1 NEW UREA DERIVATES, THEIR PREPARATION AND THEIR USE HOECHST AG (DE) 1998-06-17 EP disclosed
US-5703050-A INHIBIT PLATELET AGGREGATION, METASTASIS OF CARCINOMA CELLS, OSTEOCLAST BINDING TO BONE SURFACE HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
EP-0689549-A1 NEW UREA DERIVATES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-03 EP disclosed
WO-1994022907-A1 NEW UREA DERIVATES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed