SCHEMBL7259765

SCHEMBL7259765

CCCC(=O)N(Cc1nc2ccccc2n1C)c1ccc(-c2ccc(C(=O)N3CCN(CCN(C)C)CC3)o2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.39
TSHR P16473 1/20 0.37
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
BRAF P15056 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SRPK1 Q96SB4 1/20 0.34
ABCC1 P33527 1/20 0.34

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
SCHEMBL7255167 0.83 LTB4R2 (0.44) LTB4R2TSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL7258615 0.82 TSHR (0.43) LTB4R2TSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL7259770 0.76 HRH4 (0.40) BRAFSRPK1ABCC1
SCHEMBL7259830 0.74 MAPKAPK2 (0.38) LTB4R2TSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL7259827 0.74 TSHR (0.44) TSHRALDH1A1NPC1RAB9AKDM4E
SCHEMBL6755014 0.73 ALDH1A1 (0.44) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL7260764 0.72 ALDH1A1 (0.43) LTB4R2TSHRALDH1A1SMN1; SMN2NPC1
SCHEMBL7256009 0.70 NPC1 (0.38) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL7255070 0.69 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6758117 0.69 HRH4 (0.48) LTB4R2TSHRALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003099812-A1 PHENYL-FURAN OR PHENYL-THIOPHENE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINE PIERRE FABRE MEDICAMENT (FR) 2003-12-04 WO disclosed