SCHEMBL8710027

SCHEMBL8710027

C=CCCCCCCCCOc1ccc(-c2ccnc(-c3ccccc3)n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 7/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
LSS P48449 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATR Q13535 1/20 0.36
LTB4R Q15722 2/20 0.36

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
SCHEMBL7501927 0.84 NPC1 (0.44) L3MBTL1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL7506904 0.82 NPC1 (0.44) L3MBTL1ATMSMN1; SMN2NPC1RAB9A
SCHEMBL9150109 0.69 LSS (0.47) KDM4EL3MBTL1NPC1GABRA5LSS
SCHEMBL6954941 0.68 TSHR (0.41) KDM4EL3MBTL1ATMLSSALDH1A1
SCHEMBL6950035 0.68 TSHR (0.41) KDM4EL3MBTL1ATMLSSALDH1A1
SCHEMBL6036578 0.68 HDAC1 (0.56) L3MBTL1LSSALDH1A1
SCHEMBL6951827 0.67 CYP3A4 (0.47) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL21003801 0.67 KMT2A (0.61) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL18731741 0.67 KMT2A (0.61) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL29730468 0.67 KMT2A (0.61) KMT2AMEN1MAPTKDM4EL3MBTL1

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-5849216-A Compounds for use in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed