SCHEMBL8965506

SCHEMBL8965506

Cc1ccc2oc(-c3cc4oc5ccccc5c4cc3O)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.56
RAB9A P51151 8/20 0.56
HPGD P15428 7/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
CASP3 P42574 4/20 0.56
SENP7 Q9BQF6 4/20 0.56
SENP6 Q9GZR1 4/20 0.56
SENP8 Q96LD8 3/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 9/20 0.51
HSD17B10 Q99714 4/20 0.51
TP53 P04637 2/20 0.51
MAPT P10636 5/20 0.51
KDM6B O15054 1/20 0.50
KDM6A O15550 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.49
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47

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
SCHEMBL8964790 0.91 RPS6KA3 (0.53) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL8964800 0.88 KDM6B (0.64) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL8964811 0.86 KDM4E (0.56) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL8965198 0.85 KDM6B (0.48) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL13620844 0.83 KDM4E (0.69) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL30498604 0.83 KDM4E (0.69) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL1550678 0.82 KDM4E (0.63) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL196301 0.82 KDM4E (0.63) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL13620843 0.82 KDM4E (0.63) KDM4ERAB9AHPGDNPC1SMN1; SMN2
SCHEMBL8964809 0.81 KDM4E (0.49) KDM4ERAB9AHPGDNPC1SMN1; 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 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