SCHEMBL11222020

SCHEMBL11222020

CCCOc1ccccc1Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MAPT P10636 7/20 0.48
GAA P10253 4/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
PKM P14618 2/20 0.48
NLRP1 Q9C000 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GLA P06280 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL11220865 0.91 CYP1A2 (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11232264 0.90 KMT2A (0.48) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL28342478 0.88 PTPN1 (0.49) KMT2AMEN1MAPTLMNATSHR
SCHEMBL28342471 0.88 PTPN1 (0.49) KMT2AMEN1MAPTLMNATSHR
SCHEMBL8970984 0.85 MAPK10 (0.55) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL11349611 0.81 GAA (0.51) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL13477751 0.79 KMT2A (0.54) KMT2AMEN1NPC1RAB9AMAPT
Oxalic Acid SCHEMBL27570437 0.78 GAA (0.58) KMT2AMEN1NPC1MAPTGAA
SCHEMBL4639366 0.78 NPC1 (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL27778851 0.78 KMT2A (0.53) KMT2AMEN1NPC1RAB9AMAPT

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-4362893-A Preparation of C-nitrosodiarylamines from diarylamines UOP INC. (US) 1982-12-07 US disclosed