SCHEMBL6480836

SCHEMBL6480836

O=[N+]([O-])c1ccc(-n2c[c]c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.44
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 3/20 0.41
RAB9A P51151 2/20 0.40
FGFR1 P11362 1/20 0.40
PKM P14618 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
POLB P06746 1/20 0.39
PLEC Q15149 1/20 0.39
NPC1 O15118 1/20 0.39
P2RX4 Q99571 1/20 0.38
GAA P10253 1/20 0.38
MBD2 Q9UBB5 1/20 0.38
CRHBP P24387 1/20 0.38
ATM Q13315 1/20 0.38
CRHR2 Q13324 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL5659240 0.71 BIRC5 (0.57) SCN2AALDH1A1LMNAMAPTRAB9A
SCHEMBL3834819 0.69 FGFR1 (0.72) ALDH1A1MAPTFGFR1
SCHEMBL3107098 0.68 ATM (0.55) SCN2AALDH1A1LMNAMAPTRAB9A
SCHEMBL85578 0.68 SCN2A (0.54) SCN2AALDH1A1LMNAMAPTRAB9A
SCHEMBL29525910 0.68 ATM (0.55) SCN2AALDH1A1LMNAMAPTRAB9A
SCHEMBL6303518 0.68 MAPT (0.50) SCN2AALDH1A1LMNAMAPTRAB9A
SCHEMBL6298926 0.66 ALDH1A1 (0.67) SCN2AALDH1A1LMNAMAPTFGFR1
SCHEMBL5309437 0.66 HTT (0.39) SCN2AALDH1A1MAPTFGFR1MEN1
Nitrobenzene SCHEMBL7748458 0.64 ALDH1A1 (0.94) ALDH1A1LMNARAB9AMEN1KMT2A
Benzene SCHEMBL28311584 0.64 ALDH1A1 (0.82) ALDH1A1LMNAMEN1KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919344-B2 N-substituted indole-3-glyoxylamides having anti-asthmatic, antiallergic and immunosuppressant/immuno-modulating action ASTA MEDICA, AKTIENGESELLSCHAFT (DE) 2005-07-19 US disclosed
US-6344467-B1 ANTIASTHMATIC, ANTIALLERGIC AND IMMUNOSUPPRESSANT/IMMUNOMODULATING PROPERTIES ASTA MEDICA AG (DE) 2002-02-05 US disclosed