SCHEMBL3280911

SCHEMBL3280911

CNc1c(C)n(C)n(-c2ccccc2)c1=O.CS(=O)(=O)[O-].[Na+]

nearest known ligand 0.62

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 2/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL2523863 0.92 KDM4E (0.62) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL537958 0.90 KDM4E (0.69) ALDH1A1MEN1KMT2AKDM4ECYP1A2
Magnesium SCHEMBL29732237 0.88 KDM4E (0.68) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL25835 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL4447238 0.76 KDM4E (0.68) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL8651089 0.76 KDM4E (0.68) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL18000055 0.76 KDM4E (0.68) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL11690553 0.76 LMNA (0.61) ALDH1A1MEN1KMT2AKDM4ECYP1A2
SCHEMBL28880300 0.75 TSHR (0.81) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL10595695 0.75 GAA (0.77) ALDH1A1MEN1KMT2AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100086495-A1 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY DERMA-YOUNG LTD. (IL) 2010-04-08 US claimed
WO-2014024193-A1 COMPOSITIONS AND METHODS FOR RAPID TRANSMUCOSAL DELIVERY OF PHARMACEUTICAL INGREDIENTS PRODEL PHARMA LTD. (IL) 2014-02-13 WO disclosed
US-20100086495-A1 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY DERMA-YOUNG LTD. (IL) 2010-04-08 US disclosed
EP-2114384-A2 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY Derma-Young Ltd. (IL) 2009-11-11 EP disclosed
WO-2008099397-A2 COMPOSITIONS AND METHODS FOR ENHANCING TRANSMUCOSAL DELIVERY DERMA-YOUNG LTD. (IL) 2008-08-21 WO disclosed