SCHEMBL9012463

SCHEMBL9012463

CCCCOC(=O)c1ccc(Nc2nc(Nc3ccc(C(=O)OC4(C)CCCCC4)cc3)nc(Nc3ccc(C(=O)OC4(C)CCCCC4)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.51
HPGD P15428 3/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
TP53 P04637 1/20 0.46
ESR1 P03372 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL9591081 1.00 PKM (0.51) PKMHPGDRECQLRAB9AMEN1
SCHEMBL9012074 0.95 RAB9A (0.52) PKMHPGDRECQLRAB9AMEN1
SCHEMBL9012115 0.89 MEN1 (0.49) HPGDRAB9AMEN1KMT2ATHRB
SCHEMBL9589006 0.85 ALDH1A1 (0.50) PKMHPGDRECQLRAB9AMEN1
SCHEMBL9012430 0.85 ALDH1A1 (0.50) PKMHPGDRECQLRAB9AMEN1
SCHEMBL9588949 0.85 KMT2A (0.56) HPGDRAB9AMEN1KMT2ATHRB
SCHEMBL9012251 0.85 KMT2A (0.56) HPGDRAB9AMEN1KMT2ATHRB
SCHEMBL9012631 0.83 ALDH1A1 (0.41) PKMHPGDRAB9AMEN1KMT2A
SCHEMBL20787721 0.81 HPGD (0.59) PKMHPGDRECQLRAB9AMEN1
SCHEMBL12896256 0.81 MAPT (0.61) HPGDRECQLRAB9AMEN1KMT2A

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 1 patent. 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