SCHEMBL2476302

SCHEMBL2476302

Cc1ncccc1CNC(=O)N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.43
CYP2C9 P11712 4/20 0.42
CYP2J2 P51589 3/20 0.42
CYP2C19 P33261 1/20 0.42
GRIN2B Q13224 1/20 0.41
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 1/20 0.37
NAMPT P43490 1/20 0.37
NMT1 P30419 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL2471460 0.85 EPHX2 (0.52) EPHX2USP2P2RX7MEN1KMT2A
SCHEMBL16564475 0.85 P2RX7 (0.36) CYP2C9P2RX7PIK3CANAMPTNMT1
SCHEMBL2478169 0.81 ADRB1 (0.45) TSHRTDP1
SCHEMBL2480175 0.81 PKM (0.53) EPHX2CYP2C9CYP2J2CYP2C19GRIN2B
SCHEMBL2474778 0.79 CTDSP1 (0.53) USP2TSHRMEN1KMT2ACTDSP1
SCHEMBL2480695 0.79 USP2 (0.45) USP2TSHRMEN1KMT2ACTDSP1
SCHEMBL2471889 0.79 MEN1 (0.58) EPHX2USP2MEN1KMT2ACTDSP1
SCHEMBL2473352 0.79 NPSR1 (0.58) GRIN2BUSP2TSHRMEN1KMT2A
SCHEMBL2480143 0.77 EPHX2 (0.43) EPHX2NAMPT
SCHEMBL2474397 0.76 KMT2A (0.51) EPHX2CYP2C9CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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