SCHEMBL2479412

SCHEMBL2479412

O=C(NCCc1ccncc1)N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.45
TPSAB1 Q15661 2/20 0.42
TPSD1 Q9BZJ3 2/20 0.42
TPSG1 Q9NRR2 2/20 0.42
HSD17B10 Q99714 1/20 0.41
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CHRM4 P08173 1/20 0.38

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
SCHEMBL2475592 0.89 CHRM4 (0.48) TPSAB1MEN1KMT2ACHRM4LMNA
SCHEMBL2474641 0.88 EPHX1 (0.45) MEN1KMT2ALMNA
SCHEMBL16564519 0.84 HSD17B10 (0.39) GRM5HSD17B10MAPTL3MBTL1SMN1; SMN2
SCHEMBL2480143 0.82 EPHX2 (0.43) SMN1; SMN2OPRM1OPRD1OPRK1
SCHEMBL2477516 0.82 ALOX5 (0.46) TPSAB1MAPTPOLBHTTCHRM4
SCHEMBL2474397 0.82 KMT2A (0.51) MEN1KMT2ACHRM4LMNA
SCHEMBL2471885 0.80 EPHX2 (0.49) TPSAB1TPSD1TPSG1MEN1KMT2A
SCHEMBL2473352 0.77 NPSR1 (0.58) MEN1KMT2ASMN1; SMN2TDP1
SCHEMBL2480695 0.76 USP2 (0.45) MEN1KMT2APOLBTDP1
SCHEMBL2523860 0.76 CNR1 (0.46) TPSAB1TPSD1TPSG1MEN1KMT2A

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