SCHEMBL10691454

SCHEMBL10691454

CCCCCCc1cnc(-c2ccc(OCc3ccc(C)cc3)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
RARB P10826 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.52
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
NPC1 O15118 6/20 0.48
STAT3 P40763 1/20 0.47
ATM Q13315 1/20 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
SCHEMBL10694777 1.00 RAB9A (0.56) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL10691733 1.00 RAB9A (0.56) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL10692810 0.99 RAB9A (0.53) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL10693673 0.95 RAB9A (0.50) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9347849 0.93 RAB9A (0.63) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL10692467 0.93 RAB9A (0.63) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL10690195 0.93 RAB9A (0.63) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9351433 0.93 RAB9A (0.63) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL9436296 0.93 RAB9A (0.63) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10
SCHEMBL10692843 0.93 RAB9A (0.63) RAB9AMAPTSMN1; SMN2KDM4EHSD17B10

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-4776973-A LIQUID CRYSTAL ELECTROOPTICS DISPLAY DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-10-11 US disclosed
EP-0199004-A1 Pyrimidine derivatives MERCK PATENT GmbH (DE) 1986-10-29 EP disclosed