SCHEMBL28290080

SCHEMBL28290080

C=Cc1ccnc(CCCCCCCCCCCCCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
THRA P10827 4/20 0.36
THRB P10828 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDPK1 O15530 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
IDO1 P14902 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL3696387 1.00 KCNH2 (0.43) KCNH2KDM4ELMNACYP3A4TSHR
SCHEMBL28167678 1.00 KCNH2 (0.43) KCNH2KDM4ELMNACYP3A4TSHR
Bromide SCHEMBL28288622 0.98 KCNH2 (0.42) KCNH2KDM4ELMNACYP3A4TSHR
Bromide SCHEMBL30568709 0.98 KCNH2 (0.42) KCNH2KDM4ELMNACYP3A4TSHR
SCHEMBL9764204 0.93 LMNA (0.39) KCNH2KDM4ELMNACYP3A4TSHR
SCHEMBL9764334 0.86 KDM4E (0.49) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL321696 0.79 CYP1A2 (0.44) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL29058198 0.78 KCNH2 (0.50) KCNH2KDM4ELMNACYP3A4MEN1
Bromide SCHEMBL28155749 0.78 CYP1A2 (0.43) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL27345656 0.78 KCNH2 (0.50) KCNH2KDM4ELMNACYP3A4MEN1

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
CN-109534317-A A kind of preparation method of carbon nano-tube film 中国科学院物理研究所 2019-03-29 CN claimed