SCHEMBL8947264

SCHEMBL8947264

COC(=O)Cn1nnnc1-c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.49
TRPV1 Q8NER1 1/20 0.46
DOT1L Q8TEK3 1/20 0.46
HSD11B1 P28845 1/20 0.46
MAPT P10636 1/20 0.44
TP53 P04637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43

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
SCHEMBL8947250 0.86 TRPV1 (0.48) P2RX7TRPV1HSD11B1MAPTTP53
SCHEMBL8947336 0.85 TRPV1 (0.56) TRPV1HSD11B1MAPTKDM4EALDH1A1
SCHEMBL9170587 0.83 P2RX7 (0.55) P2RX7DOT1LHSD11B1NPC1ALDH1A1
SCHEMBL5966689 0.81 TRPV1 (0.59) TRPV1HSD11B1MAPTKDM4EALDH1A1
SCHEMBL8947340 0.79 BCL2 (0.45) KDM4EALDH1A1
SCHEMBL8947317 0.79 ALDH1A1 (0.57) TRPV1HSD11B1KDM4EALDH1A1HPGD
SCHEMBL8947311 0.78 ALDH1A1 (0.57) TRPV1HSD11B1MAPTKDM4EALDH1A1
SCHEMBL8947310 0.78 TRPV1 (0.63) TRPV1HSD11B1MAPTKDM4EALDH1A1
SCHEMBL8947126 0.76 P2RX7 (0.47) P2RX7MAPTTP53KDM4ENPC1
SCHEMBL8947240 0.75 ALDH1A1 (0.54) TRPV1HSD11B1KDM4EALDH1A1HPGD

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