SCHEMBL9688900

SCHEMBL9688900

CC(C(=O)O)n1nnnc1-c1cc2ccccc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PRNP P04156 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
RPA1 P27694 1/20 0.39
BCL2L1 Q07817 1/20 0.38
MC4R P32245 1/20 0.38
IKBKB O14920 2/20 0.37
DGAT1 O75907 1/20 0.37
CHUK O15111 1/20 0.37
IKBKG Q9Y6K9 1/20 0.37
APP P05067 1/20 0.37
ALOX5 P09917 4/20 0.36
CYP1A2 P05177 2/20 0.36
PTGS2 P35354 2/20 0.36
PTGES O14684 1/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.36

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
SCHEMBL9689969 0.87 HDAC3 (0.39) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9689487 0.85 HDAC6 (0.43) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9688550 0.83 ALDH1A1 (0.42) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9689951 0.83 TDP1 (0.41) KDM4ERAB9ACYP1A2PTGS2CA2
SCHEMBL9690025 0.83 PPARA (0.42) KDM4EALDH1A1RAB9ACYP1A2PTGS2
SCHEMBL9689963 0.80 HDAC3 (0.43) KDM4EALDH1A1PRNPHPGDRAB9A
SCHEMBL9690648 0.79 NPSR1 (0.38) ALOX5PTGESLMNA
SCHEMBL9469004 0.76 TDP1 (0.42) KDM4EALDH1A1DGAT1CYP1A2LMNA
SCHEMBL8947138 0.76 KMT2A (0.49) KDM4EALDH1A1CYP1A2PTGS2LMNA
SCHEMBL9689433 0.76 ALDH1A1 (0.49) KDM4EALDH1A1PRNPHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0506011-A1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1992-09-30 EP disclosed