SCHEMBL18930552

SCHEMBL18930552

C=Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.49
▸ HTT P42858 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP2A13 Q16696 1/20 0.47
▸ AGTR1 P30556 1/20 0.44
▸ AGTR2 P50052 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ SIGMAR1 Q99720 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EBP Q15125 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3358517 0.84 SIGMAR1 (0.52) KDM4EHTTLMNAGAATDP1
SCHEMBL18930823 0.83 KDM4E (0.48) KDM4EHTTLMNAGAATDP1
SCHEMBL14871535 0.83 KDM4E (0.48) KDM4EHTTLMNAGAATDP1
SCHEMBL12280826 0.80 HDAC6 (0.43) KDM4EHTTLMNAGAATDP1
SCHEMBL12383 0.80 ALDH1A1 (0.55) KDM4EHTTLMNAGAATDP1
SCHEMBL12283959 0.79 KDM4E (0.44) KDM4EHTTLMNAGAATDP1
SCHEMBL12156566 0.78 KDM4E (0.53) KDM4EHTTLMNAGAATDP1
SCHEMBL578799 0.78 KDM4E (0.53) KDM4EHTTLMNAGAATDP1
SCHEMBL22711368 0.78 KDM4E (0.53) KDM4EHTTLMNAGAATDP1
SCHEMBL4148981 0.78 KDM4E (0.53) KDM4EHTTLMNAGAATDP1

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
EP-2556070-B1 SYNTHESIS OF CHIRAL 2-(1H-INDAZOL-6-YL)-SPIRO[CYCLOPROPANE-1,3'- INDOLIN]-2'-ONES UNIV HEALTH NETWORK (CA) 2017-06-07 — — EP disclosed
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