SCHEMBL11328720

SCHEMBL11328720

Cc1ccc2oc(Cc3nc4cc(C)ccc4o3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
MAPT P10636 6/20 0.58
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
HPGD P15428 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 4/20 0.56
TP53 P04637 4/20 0.56
USP2 O75604 1/20 0.54
MAPK10 P53779 1/20 0.54
CASP3 P42574 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
SENP6 Q9GZR1 3/20 0.53
POLB P06746 2/20 0.53
SENP8 Q96LD8 2/20 0.53
PIK3CB P42338 1/20 0.51
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 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
SCHEMBL11332226 0.89 KDM4E (0.73) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5542189 0.87 GAA (0.56) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4063835 0.85 KDM4E (0.54) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL22042899 0.85 KDM4E (0.54) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13986779 0.85 KDM4E (0.54) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL30612631 0.85 KDM4E (0.54) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL12394367 0.85 RAB9A (0.57) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL23176649 0.84 KDM4E (0.53) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5538663 0.84 KDM4E (0.62) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL23176644 0.82 KDM4E (0.51) KDM4EMAPTRAB9ANPC1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260770-A Naphtholactam dyes CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4256896-A THIAZOLE, IMIDAZOLINE, AND OXAZOLINE DYES; DISPERSE DYES; ANIONIC DYES; TEXTILES CIBA-GEIGY AKTIENGESELLSCHAFT (DE) 1981-03-17 US disclosed
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed