SCHEMBL8947386

SCHEMBL8947386

O=C(c1ccc(-c2nnn[nH]2)cc1)N1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPK1 P28482 1/20 0.53
TSHR P16473 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MLYCD O95822 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
PARP1 P09874 1/20 0.46
DHODH Q02127 1/20 0.46
RIPK1 Q13546 1/20 0.45
HDAC4 P56524 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL4024297 0.83 HPGD (0.45) HPGDALDH1A1MAPK1TSHRNPC1
SCHEMBL19542472 0.81 FASN (0.63)
SCHEMBL4024368 0.79 HPGD (0.45) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL21485419 0.79 CHRNB2 (0.43) HPGDMAPK1
SCHEMBL15154808 0.79 GAA (0.56) HPGDALDH1A1NPC1KMT2ALMNA
SCHEMBL20019633 0.78 SLC6A7 (0.38) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL17303478 0.76 LMNA (0.37) HPGDALDH1A1NPC1RAB9AMEN1
SCHEMBL15030737 0.76 GAA (0.40) HPGDALDH1A1MAPK1TSHRRAB9A
SCHEMBL31030576 0.76 KDM4E (0.39) HPGDALDH1A1TSHRNPC1RAB9A
SCHEMBL16598891 0.76 GPR183 (0.62)

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