SCHEMBL28849508

SCHEMBL28849508

O=C(NNc1ncco1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ CES1 P23141 2/20 0.41
▸ LRRK2 Q5S007 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37
▸ CSNK2B P67870 1/20 0.37
▸ CSNK2A1 P68400 1/20 0.37
▸ CSNK2A3 Q8NEV1 1/20 0.37
▸ PORCN Q9H237 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ F12 P00748 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ RAD51 Q06609 1/20 0.37

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
SCHEMBL15880488 0.85 ALDH1A1 (0.46) HSD17B10LRRK2ALDH1A1MAPTGAA
SCHEMBL27716616 0.74 GAA (0.55) ALDH1A1MAPTGAAKDM4EKMT2A
SCHEMBL9553582 0.72 GAA (0.58) ALDH1A1MAPTGAAKDM4EUSP2
SCHEMBL28109363 0.72 LMNA (0.49) ALDH1A1MAPTGAAKDM4EUSP2
SCHEMBL27763708 0.72 SMN1; SMN2 (0.41) HSD17B10ALDH1A1MAPTGAATRPV1
SCHEMBL28455478 0.71 EPHX2 (0.39) LRRK2ALDH1A1MAPTGAACSNK2A2
SCHEMBL27763673 0.71 TSHR (0.44) HSD17B10LRRK2ALDH1A1GAAKDM4E
SCHEMBL27785587 0.71 ALDH1A1 (0.41) ALDH1A1MAPTGAATRPV1KDM4E
SCHEMBL27874078 0.71 CHRNB2 (0.44) ALDH1A1MAPTGAATRPV1KDM4E
SCHEMBL27632840 0.70 CES1 (0.52) HSD17B10CES1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207521-A Substituted bridged urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-26 — — CN disclosed
CN-107207509-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-26 — — CN disclosed
Send feedback