SCHEMBL4772394

SCHEMBL4772394

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
ALDH1A1 P00352 4/20 0.65
HPGD P15428 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 2/20 0.65
KDM4E B2RXH2 1/20 0.65
MAPT P10636 5/20 0.63
TP53 P04637 1/20 0.63
RECQL P46063 1/20 0.60
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PKM P14618 1/20 0.57
LMNA P02545 4/20 0.56
CYP1A2 P05177 2/20 0.56
TSHR P16473 2/20 0.56
CYP2C19 P33261 2/20 0.56
ESR1 P03372 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.56
NR1H2 P55055 1/20 0.56

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
SCHEMBL18117673 0.91 MAPT (0.60) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL20787721 0.91 HPGD (0.59) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL13299505 0.88 MAPT (0.56) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12896256 0.88 MAPT (0.61) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12896253 0.88 MAPT (0.61) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL9012074 0.87 RAB9A (0.52) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12462983 0.87 HPGD (0.58) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL17212256 0.86 HPGD (0.56) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL12727778 0.86 HPGD (0.56) RAB9AALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL14160684 0.86 LMNA (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891050-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2008-02-27 EP disclosed
WO-2006128920-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed
WO-2006128791-A1 NEW DERIVATIVES OF PYRROLYLTRIAZINE TOGETHER WITH METHODS FOR OBTAINING THEM AND THEIR USE AS PROTECTING AGENTS AGAINST UV RADIATION ISDIN, S.A. (ES) 2006-12-07 WO disclosed