SCHEMBL21880076

SCHEMBL21880076

C=Cc1ncc(C(=O)OCC)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ LMNA P02545 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MMP13 P45452 5/20 0.39
▸ MMP2 P08253 4/20 0.39
▸ MMP14 P50281 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL8818379 0.78 ALDH1A1 (0.47) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL18654520 0.77 KDM4E (0.41) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL21238310 0.76 KDM4E (0.44) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL20534000 0.76 KDM4E (0.45) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL18626491 0.76 ALOX15 (0.47) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL1437509 0.76 KDM4E (0.44) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL369489 0.76 ALDH1A1 (0.49) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL23931018 0.74 PIN1 (0.46) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5032446 0.73 KDM4E (0.42) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2
SCHEMBL12408070 0.73 KDM6B (0.44) KDM4EALDH1A1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020085493-A1 NOVEL INDAZOLE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-04-30 — — WO disclosed
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