SCHEMBL11937519

SCHEMBL11937519

CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
MGLL Q99685 1/20 0.52
MAPT P10636 5/20 0.52
ALOX12 P18054 1/20 0.52
HTT P42858 3/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.50
HPGD P15428 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
TDP1 Q9NUW8 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
SCHEMBL7823219 0.95 MGLL (0.54) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL26757997 0.86 MGLL (0.54) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL8384101 0.85 MGLL (0.53) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL28860063 0.85 SMN1; SMN2 (0.60) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL27452022 0.85 SMN1; SMN2 (0.57) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL16229518 0.84 MAPT (0.55) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL6268455 0.83 NPC1 (0.53) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL6942718 0.82 MGLL (0.56) NPC1RAB9AMGLLMAPTALOX12
SCHEMBL8502651 0.80 TSHR (0.58) HTTSMN1; SMN2TSHRHPGDALOX15
SCHEMBL10727939 0.80 CA1 (0.49) MGLLMAPTALOX12HTTSMN1; SMN2

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
EP-2471876-A1 DICHLORODIKETOPYRROLOPYRROLE PIGMENT, COLORING MATERIAL DISPERSION CONTAINING THE PIGMENT, AND PROCESS FOR PRODUCTION OF THE COLORING MATERIAL DISPERSION FUJIFILM Corporation (JP) 2012-07-04 EP disclosed