SCHEMBL15845430

SCHEMBL15845430

O=[N+]([O-])c1c(-c2ccc3c(c2)sc2ccccc23)ccc2c1ccn2-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PKM P14618 1/20 0.33
▸ HPRT1 P00492 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ PHOSPHO1 Q8TCT1 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ FGFR1 P11362 1/20 0.31

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
SCHEMBL15845419 0.94 LMNA (0.36) LMNAPOLBHTTMAPTALDH1A1
SCHEMBL15845407 0.82 HTT (0.43) LMNAHTTMAPTALDH1A1HPGD
SCHEMBL15845410 0.81 LMNA (0.44) LMNAPOLBHTTMAPTALDH1A1
SCHEMBL15845404 0.80 ALDH1A1 (0.34) HTTMAPTALDH1A1HPGDRAB9A
SCHEMBL15845409 0.80 ALDH1A1 (0.34) HTTMAPTALDH1A1HPGDRAB9A
SCHEMBL15811164 0.76 CYP3A4 (0.41) LMNAALDH1A1PKMHPRT1MEN1
SCHEMBL15796860 0.74 CYP3A4 (0.42) LMNAPOLBHTTALDH1A1PKM
SCHEMBL15845420 0.74 HDAC3 (0.32) HTTALDH1A1FGFR1
SCHEMBL15845401 0.74 HDAC3 (0.32) HTTMAPTALDH1A1FGFR1
SCHEMBL19831832 0.71 CYP3A4 (0.46) LMNAPOLBMAPTALDH1A1HPGD

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-2014104663-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-07-03 — — WO disclosed
Send feedback