SCHEMBL29795482

SCHEMBL29795482

c1ccc(Oc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.56
GRIN1 Q05586 1/20 0.55
GRIN2B Q13224 1/20 0.55
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
TP53 P04637 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PKM P14618 2/20 0.50
ABCB11 O95342 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4C Q9H3R0 1/20 0.49
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.47
MASP2 O00187 1/20 0.47
MEN1 O00255 1/20 0.47
NUDT1 P36639 1/20 0.47

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
SCHEMBL6359968 1.00 LTA4H (0.56) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL7857823 0.88 ALDH1A1 (0.58) LTA4HNPC1RAB9ATP53SMN1; SMN2
SCHEMBL29058202 0.87 LTA4H (0.47) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL569767 0.86 RAB9A (0.57) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL14547183 0.86 LTA4H (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL3790888 0.82 SMN1; SMN2 (0.60) LTA4HNPC1RAB9ATP53SMN1; SMN2
SCHEMBL16882187 0.82 AR (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL2168662 0.82 LTA4H (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL5598128 0.82 LTA4H (0.54) LTA4HGRIN1GRIN2BNPC1RAB9A
SCHEMBL2382054 0.82 LTA4H (0.51) LTA4HGRIN1GRIN2BNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115466390-B Low-temperature rapid-curing cyanate resin containing imidazole structure and preparation method thereof 中国人民解放军国防科技大学 2023-07-25 CN disclosed
CN-115466390-A Low-temperature fast-curing cyanate ester resin containing imidazole structure and preparation method thereof 中国人民解放军国防科技大学 2022-12-13 CN disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed