SCHEMBL6098698

SCHEMBL6098698

O=c1c2ccccc2nc(C=Cc2ccccc2[N+](=O)[O-])n1-c1ccc(Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
KMT2A Q03164 5/20 0.61
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
TP53 P04637 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 2/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 3/20 0.51
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48

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
SCHEMBL6097691 0.84 MEN1 (0.61) ALDH1A1KMT2ANPC1RAB9ATP53
SCHEMBL6097688 0.84 MEN1 (0.61) ALDH1A1KMT2ANPC1RAB9ATP53
SCHEMBL12316834 0.73 KMT2A (0.82) ALDH1A1NPSR1L3MBTL1KMT2ATP53
SCHEMBL3424682 0.73 APAF1 (0.54) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6098152 0.72 MEN1 (0.58) ALDH1A1KMT2ATDP1TP53LMNA
SCHEMBL6098154 0.72 MEN1 (0.58) ALDH1A1KMT2ATDP1TP53LMNA
SCHEMBL11746111 0.72 MAPT (0.53) L3MBTL1KMT2ANPC1RAB9AMAPT
SCHEMBL11746100 0.72 MAPT (0.53) L3MBTL1KMT2ANPC1RAB9AMAPT
SCHEMBL11699510 0.71 POLB (0.70) ALDH1A1L3MBTL1LMNAPOLBMAPT
SCHEMBL12316851 0.68 KMT2A (0.86) ALDH1A1NPSR1L3MBTL1KMT2ATP53

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-7053216-B2 Modulators of Rho C activity ICONIX PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed