SCHEMBL11340909

SCHEMBL11340909

CCCCCOc1nncc(-c2ccccc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.41
TLR8 Q9NR97 4/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL11270152 0.91 TSHR (0.42) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL11267480 0.84 TSHR (0.54) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL11634111 0.81 NPC1 (0.37) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL11269321 0.76 MAPT (0.61) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL11631103 0.76 HSD17B10 (0.32) ALDH1A1MAPTNPC1RAB9ATLR8
SCHEMBL11269464 0.75 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL7497548 0.72 L3MBTL1 (0.51) SOAT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL7171613 0.72 NPC1 (0.70) ALDH1A1KDM4EHPGDMAPTL3MBTL1
SCHEMBL7500928 0.72 L3MBTL1 (0.51) SOAT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL14802124 0.72 LTA4H (0.53) SOAT1ALDH1A1KDM4EHPGDMAPT

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
US-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed