SCHEMBL11049829

SCHEMBL11049829

O=C(Nc1ccccc1)Nc1ccncc1Br

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
HTT P42858 3/20 0.66
LMNA P02545 2/20 0.66
IMPDH2 P12268 3/20 0.63
TAAR1 Q96RJ0 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.56
TP53 P04637 1/20 0.53
EPHX1 P07099 1/20 0.53
TSHR P16473 1/20 0.53
EPHX2 P34913 1/20 0.53
CDK9 P50750 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
POLB P06746 1/20 0.51
MDM2 Q00987 1/20 0.50
BCHE P06276 1/20 0.49

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
SCHEMBL10344697 0.81 POLB (0.68) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL8746726 0.80 MEN1 (1.00) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL4831443 0.80 BCHE (0.46) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL26229535 0.78 TAAR1 (0.62) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL305498 0.77 TAAR1 (1.00) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL8946928 0.77 TAAR1 (0.60) HTTIMPDH2TAAR1SMN1; SMN2TP53
SCHEMBL23319507 0.76 ALDH1A1 (0.54) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL10665495 0.76 RAB9A (0.79) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL2892111 0.76 HTT (0.56) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL16305298 0.75 CA1 (0.46) NPC1RAB9AMEN1KMT2ATSHR

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-RE31550-E N-(2-Chloro-4-pyridyl) ureas Shudo, Koichi (JP) 1984-04-10 US disclosed
US-4193788-A N-(2-Chloro-4-pyridyl)ureas ISOGAI YO (JP) 1980-03-18 US disclosed