SCHEMBL8947295

SCHEMBL8947295

COC(=O)Cn1nnnc1-c1cccc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
RAB9A P51151 4/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RECQL P46063 1/20 0.50
TRPV1 Q8NER1 1/20 0.47
GAA P10253 1/20 0.47
HSD11B1 P28845 1/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8947238 0.89 RECQL (0.60) TSHRRAB9AMAPTLMNANPSR1
SCHEMBL8947277 0.88 TRPV1 (0.50) TSHRLMNAALDH1A1SMN1; SMN2TRPV1
SCHEMBL8947167 0.85 HPGD (0.50) TSHRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8947140 0.84 HSD11B1 (0.59) TSHRRAB9ALMNAALDH1A1NPC1
SCHEMBL5966689 0.84 TRPV1 (0.59) TSHRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8947317 0.82 ALDH1A1 (0.57) TSHRLMNAALDH1A1SMN1; SMN2TRPV1
SCHEMBL5785099 0.82 EGLN1 (0.45) TSHRMAPTALDH1A1TRPV1GAA
SCHEMBL8947234 0.82 POLB (0.60) TSHRLMNAALDH1A1RECQLTRPV1
SCHEMBL8947310 0.82 TRPV1 (0.63) TSHRMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL8947255 0.81 ALDH1A1 (0.46) RAB9AMAPTALDH1A1SMN1; SMN2TRPV1

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