SCHEMBL8947167

SCHEMBL8947167

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
TRPV1 Q8NER1 1/20 0.47
TSHR P16473 1/20 0.44
TRPA1 O75762 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 1/20 0.42
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8947128 0.89 MAPK1 (0.53) HPGDALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL8947277 0.88 TRPV1 (0.50) HPGDALDH1A1TRPV1TSHRCYP1A2
SCHEMBL8947295 0.85 TSHR (0.61) HPGDALDH1A1TRPV1TSHRCYP2C19
SCHEMBL8947234 0.84 POLB (0.60) HPGDALDH1A1TRPV1TSHRCYP1A2
SCHEMBL8947300 0.84 ALDH1A1 (0.70) HPGDALDH1A1CYP1A2CYP2C19KMT2A
SCHEMBL8947278 0.84 ALDH1A1 (0.70) HPGDALDH1A1TRPV1CYP1A2CYP2C19
SCHEMBL5966689 0.84 TRPV1 (0.59) HPGDALDH1A1TRPV1TSHRCYP1A2
SCHEMBL8947317 0.82 ALDH1A1 (0.57) HPGDALDH1A1TRPV1TSHRCYP1A2
SCHEMBL5785099 0.82 EGLN1 (0.45) HPGDALDH1A1TRPV1TSHRCYP1A2
SCHEMBL8947310 0.82 TRPV1 (0.63) HPGDALDH1A1TRPV1TSHRCYP1A2

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