SCHEMBL8965198

SCHEMBL8965198

Oc1cc2c(cc1-c1nc3cc(-c4ccccc4)ccc3o1)oc1ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.48
KDM6A O15550 1/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 2/20 0.47
CASP3 P42574 2/20 0.47
SENP7 Q9BQF6 2/20 0.47
SENP6 Q9GZR1 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
SENP8 Q96LD8 1/20 0.47
AGPAT2 O15120 1/20 0.46
HDAC6 Q9UBN7 2/20 0.46
PTGS2 P35354 1/20 0.45
ESR1 P03372 5/20 0.45
ESR2 Q92731 5/20 0.45
ALDH1A1 P00352 3/20 0.44

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
SCHEMBL8964800 0.85 KDM6B (0.64) KDM6BKDM6AGAAHPGDSMN1; SMN2
SCHEMBL8965506 0.85 KDM4E (0.56) KDM6BKDM6AGAAL3MBTL1HPGD
SCHEMBL8964811 0.84 KDM4E (0.56) KDM6BKDM6AGAAL3MBTL1HPGD
SCHEMBL8965517 0.83 NPC1 (0.51) GAAL3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL9002412 0.81 ESR1 (0.56) KDM6BKDM6AGAAL3MBTL1HPGD
SCHEMBL23079758 0.81 NPC1 (0.55) GAAL3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL27049432 0.81 NPC1 (0.55) GAAL3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL8924375 0.80 ESR1 (0.57) GAAL3MBTL1HPGDSMN1; SMN2KDM4E
SCHEMBL8964567 0.80 HDAC6 (0.47) KDM6BKDM6AGAAL3MBTL1HPGD
SCHEMBL27049425 0.80 NPC1 (0.53) GAAL3MBTL1HPGDSMN1; SMN2KDM4E

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
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US claimed
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed