SCHEMBL9012074

SCHEMBL9012074

CCCCOC(=O)c1ccc(Nc2ncnc(Nc3ccc(C(=O)OC4(C)CCCCC4)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPT P10636 6/20 0.51
PKM P14618 1/20 0.51
TP53 P04637 1/20 0.51
RECQL P46063 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SLC2A1 P11166 1/20 0.43
LMNA P02545 4/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9012463 0.95 PKM (0.51) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9591081 0.95 PKM (0.51) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL4772394 0.87 RAB9A (0.65) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9012115 0.83 MEN1 (0.49) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9589006 0.81 ALDH1A1 (0.50) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9012430 0.81 ALDH1A1 (0.50) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9012251 0.80 KMT2A (0.56) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9588949 0.80 KMT2A (0.56) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL18117673 0.79 MAPT (0.60) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL20787721 0.79 HPGD (0.59) RAB9AALDH1A1HPGDSMN1; SMN2NPC1

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
EP-0517104-B1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA SPA (IT) 1996-11-27 EP claimed
EP-0517104-A1 1,3,5-Triazine derivatives, their preparation and use as sunscreens 3V SIGMA S.p.A (IT) 1992-12-09 EP claimed