SCHEMBL624720

SCHEMBL624720

O=C1CCCCC1=Cc1cccnc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.73
HTT P42858 6/20 0.73
RAB9A P51151 6/20 0.73
SMN1; SMN2 Q16637 5/20 0.73
ATM Q13315 2/20 0.73
ALDH1A1 P00352 7/20 0.59
CYP19A1 P11511 7/20 0.57
CYP11B1 P15538 5/20 0.57
CYP11B2 P19099 5/20 0.57
LMNA P02545 4/20 0.55
MITF O75030 3/20 0.55
MAPK1 P28482 2/20 0.55
NPC1 O15118 1/20 0.55
NSD2 O96028 1/20 0.55
KMT2A Q03164 3/20 0.55
MIF P14174 2/20 0.55
PKM P14618 2/20 0.55
MEN1 O00255 2/20 0.55
HSP90AA1 P07900 1/20 0.51
MAOB P27338 1/20 0.49

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
SCHEMBL5593668 1.00 MAPT (0.73) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL5594253 1.00 MAPT (0.73) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL625565 0.97 MAPT (0.79) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL17899491 0.85 MAPT (1.00) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL28896748 0.83 MAPT (0.52) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL28896746 0.83 MAPT (0.52) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL30852828 0.81 MAPT (1.00) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL30852868 0.81 MAPT (1.00) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL624500 0.79 HTT (0.70) MAPTHTTRAB9ASMN1; SMN2ATM
SCHEMBL17899482 0.78 MAPT (0.60) MAPTHTTRAB9ASMN1; SMN2ATM

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
WO-2012021692-A1 CURCUMIN ANALOGS AND METHODS OF USE THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-02-16 WO disclosed
WO-2007072089-A1 MGLUR5 ANTAGONISTIC CARBAMOYL-OXIME DERIVATIVES RICHTER GEDEON VEGYÉSZETU GYÁR RT. (HU) 2007-06-28 WO disclosed
US-4021560-A ANALGESICS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-05-03 US disclosed