SCHEMBL8947228

SCHEMBL8947228

COC(=O)Cn1nnnc1-c1cc(C)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
KAT2B Q92831 1/20 0.36
HDAC3 O15379 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC10 Q969S8 2/20 0.35
HDAC11 Q96DB2 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC9 Q9UKV0 2/20 0.35
HDAC5 Q9UQL6 2/20 0.35
CYP3A4 P08684 1/20 0.35
GRIN2B Q13224 4/20 0.35
GRIN1 Q05586 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 1/20 0.33

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
SCHEMBL8790731 0.85 ALDH1A1 (0.49) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL8947195 0.78 TRPV1 (0.44) MAPK1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL8947317 0.76 ALDH1A1 (0.57) MAPK1TRPV1HDAC6ALDH1A1HPGD
SCHEMBL8791353 0.75 TRPV1 (0.41) MAPK1TRPV1HDAC3HDAC1HDAC2
SCHEMBL8947240 0.75 ALDH1A1 (0.54) MAPK1TRPV1HDAC6ALDH1A1HPGD
SCHEMBL8947277 0.75 TRPV1 (0.50) MAPK1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL5966689 0.72 TRPV1 (0.59) TRPV1HDAC6ALDH1A1HPGDCYP1A2
SCHEMBL8947122 0.72 ALDH1A1 (0.47) MAPK1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL13631407 0.72 MAPK1 (0.72) MAPK1TRPV1ALDH1A1HPGDCYP1A2
SCHEMBL9730904 0.72 TRPV1 (0.43) MAPK1TRPV1ALDH1A1HPGDCYP1A2

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
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed