SCHEMBL8205900

SCHEMBL8205900

CC(Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.67
MAPT P10636 5/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CYP19A1 P11511 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.44
MPI P34949 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.43
MMP13 P45452 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL4437809 0.84 POLB (0.58) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL10601188 0.81 LOXL2 (0.50) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL6632472 0.80 POLB (0.79) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL177812 0.80 POLB (1.00) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL9969478 0.79 LOXL2 (0.48) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL9969481 0.79 LOXL2 (0.48) POLBMAPTALDH1A1NPC1RAB9A
SCHEMBL19938078 0.79 LOXL2 (0.58) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL19938068 0.79 TSHR (0.55) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL18118460 0.79 TSHR (0.55) POLBALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9969480 0.79 TSHR (0.55) POLBALDH1A1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1037880-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 2000-09-27 EP disclosed
WO-1999029674-A1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA N.V. (BE) 1999-06-17 WO disclosed