SCHEMBL8790035

SCHEMBL8790035

CCc1ccc(-c2nnnn2CC(=O)O)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
KDM4C Q9H3R0 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GRIN2B Q13224 4/20 0.39
GRIN1 Q05586 3/20 0.39
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PRNP P04156 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPK1 P28482 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
LMNA P02545 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
SCHEMBL8791092 0.87 ALDH1A1 (0.46) ALDH1A1HPGDKDM4CMAPTPOLB
SCHEMBL8790264 0.86 ALDH1A1 (0.55) ALDH1A1HPGDKDM4CKMT2AGRIN2B
SCHEMBL9845581 0.86 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CKMT2AMEN1
SCHEMBL8791245 0.83 ALDH1A1 (0.47) ALDH1A1HPGDKDM4CKMT2AHDAC3
SCHEMBL8790046 0.82 ALDH1A1 (0.42) ALDH1A1HPGDKDM4CMAPTPOLB
SCHEMBL8790795 0.81 ALDH1A1 (0.52) ALDH1A1HPGDKDM4CKMT2AMEN1
SCHEMBL8792681 0.80 ALDH1A1 (0.44) ALDH1A1HPGDKDM4CKMT2ASMN1; SMN2
SCHEMBL8791041 0.80 ALDH1A1 (0.49) ALDH1A1HPGDKDM4CKMT2ANPC1
SCHEMBL8792333 0.80 ALDH1A1 (0.55) ALDH1A1HPGDKDM4CKMT2AMEN1
SCHEMBL8791772 0.77 KDM4E (0.48) ALDH1A1HPGDKDM4CKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421365-B1 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity WAKAMOTO PHARMA CO LTD (JP) 1997-03-05 EP disclosed
US-RE35321-E ANTIDIABETIC AGENT WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
US-5068239-A Antidiabetic agent WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-11-26 US disclosed
EP-0421365-A2 Tetrazoleacetic acid derivatives having aldose reductase inhibitory activity Wakamoto Pharmaceutical Co., Ltd. (JP) 1991-04-10 EP disclosed