SCHEMBL11575820

SCHEMBL11575820

CCCCCCc1ccc(CC)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
MAPT P10636 4/20 0.54
NPC1 O15118 4/20 0.54
STAT3 P40763 1/20 0.54
ATM Q13315 1/20 0.54
L3MBTL1 Q9Y468 4/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 4/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL31190152 0.98 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL2619347 0.92 NFKB1 (0.54) RAB9ASMN1; SMN2MAPTNPC1STAT3
Ammonia Solution, Strong SCHEMBL7978427 0.91 NFKB1 (0.53) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL29058183 0.91 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL30542615 0.91 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL28879024 0.91 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL22368184 0.91 RAB9A (0.55) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8499336 0.89 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL8496684 0.89 RAB9A (0.51) RAB9ASMN1; SMN2MAPTNPC1STAT3
SCHEMBL23531409 0.89 RAB9A (0.54) RAB9ASMN1; SMN2MAPTNPC1STAT3

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-4086290-A CATALYST OF IRON-PHOSPHORUS-BORON, ALUMINUM, INDIUM OR THALLIUM OXIDES PHILLIPS PETROLEUM COMPANY (US) 1978-04-25 US disclosed
US-3993591-A IRON, PHOSPHORUS AND GROUP IIIA COMPONENTS AS CATALYSTS PHILLIPS PETROLEUM COMPANY (US) 1976-11-23 US disclosed