SCHEMBL18930823

SCHEMBL18930823

C/C=C/c1ccc(CN2CC(C)OC(C)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ CYP2A13 Q16696 1/20 0.46
▸ SIGMAR1 Q99720 3/20 0.43
▸ AGTR1 P30556 1/20 0.43
▸ AGTR2 P50052 1/20 0.43
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ EBP Q15125 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HIF1A Q16665 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
SCHEMBL14871535 1.00 KDM4E (0.48) KDM4EHTTLMNAGAATDP1
SCHEMBL12283959 0.84 KDM4E (0.44) KDM4EHTTLMNAGAATDP1
SCHEMBL18930552 0.83 KDM4E (0.49) KDM4EHTTLMNAGAATDP1
SCHEMBL12280826 0.81 HDAC6 (0.43) KDM4EHTTLMNAGAATDP1
SCHEMBL2549392 0.79 KDM4E (0.51) KDM4EHTTLMNAGAATDP1
SCHEMBL578434 0.78 KDM4E (0.40) KDM4EHTTLMNAGAATDP1
SCHEMBL578435 0.78 KDM4E (0.40) KDM4EHTTLMNAGAATDP1
SCHEMBL578436 0.78 KDM4E (0.40) KDM4EHTTLMNAGAATDP1
SCHEMBL578437 0.78 KDM4E (0.40) KDM4EHTTLMNAGAATDP1
SCHEMBL12383 0.78 ALDH1A1 (0.55) 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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