SCHEMBL2476017

SCHEMBL2476017

Nc1cc(C(F)(F)F)ccc1N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MDM2 Q00987 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NR4A1 P22736 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
RBP4 P02753 1/20 0.35
PNMT P11086 1/20 0.35

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
SCHEMBL2474550 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTPOLBGAA
SCHEMBL23851217 0.78 ALDH1A1 (0.72) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL14067874 0.76 ALDH1A1 (0.66) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL28338201 0.76 ALDH1A1 (0.78) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL3279234 0.75 ALDH1A1 (0.64) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL2966249 0.73 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL23851042 0.73 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL29748852 0.73 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL23851040 0.73 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAPKMMAPT
SCHEMBL31588171 0.73 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2907804-A1 Novel 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics Galderma Research & Development (FR) 2015-08-19 EP claimed
EP-2373620-B1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2015-03-18 EP claimed
EP-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP claimed
WO-2010063774-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 WO claimed
EP-2907804-A1 Novel 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics Galderma Research & Development (FR) 2015-08-19 EP disclosed
EP-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP disclosed
WO-2010063774-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-06-10 WO disclosed