SCHEMBL6777779

SCHEMBL6777779

O=C(Nc1cc[nH]n1)Nc1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 1/20 0.56
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 5/20 0.52
RAB9A P51151 4/20 0.52
MEN1 O00255 4/20 0.52
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
GSK3B P49841 1/20 0.50
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NOX1 Q9Y5S8 1/20 0.49
EPHX1 P07099 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 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
SCHEMBL30393282 0.81 KDM4E (0.82) KDM4EMAPTPOLBSMN1; SMN2KMT2A
SCHEMBL1276481 0.81 KDM4E (0.82) KDM4EMAPTPOLBSMN1; SMN2KMT2A
SCHEMBL28423933 0.79 ALDH1A1 (0.50) KDM4EMAPTRAB9AGAAALDH1A1
SCHEMBL3422999 0.78 KMT2A (0.54) KDM4EMAPTPOLBSMN1; SMN2KMT2A
SCHEMBL3391812 0.78 SMN1; SMN2 (0.57) KDM4EMAPTPOLBSMN1; SMN2KMT2A
SCHEMBL13038790 0.75 SMN1; SMN2 (0.59) MAPTSMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL3424958 0.75 CCNA2 (0.62) KDM4ELMNAPOLBSMN1; SMN2KMT2A
SCHEMBL178008 0.74 KDM4E (0.60) KDM4EMAPTLMNAPOLBSMN1; SMN2
SCHEMBL6384249 0.74 CDK2 (0.60) KDM4EMAPTLMNAEPHX1
SCHEMBL6312356 0.74 KDM4E (0.60) KDM4EMAPTLMNAPOLBSMN1; 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
US-20040138216-A1 Process for the preparation of an essentially pure polymorph of an n-pyrazolyl-n'-naphthyl-urea BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US disclosed