SCHEMBL7696235

SCHEMBL7696235

CN(C)c1ccc(-c2oc(-c3ccc(C(F)(F)F)cc3)nc2C(=O)Nc2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 8/20 0.46
NPC1 O15118 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TRPV1 Q8NER1 2/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 4/20 0.45
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ADCY8 P40145 1/20 0.43
ADCY1 Q08828 1/20 0.43
MAPK1 P28482 1/20 0.42
HDAC4 P56524 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 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
SCHEMBL7697491 0.84 HDAC4 (0.49) TRPV1MAPTHDAC4RXFP1DGAT1
SCHEMBL7701281 0.84 MAPT (0.49) KMT2AKDM4EMEN1RAB9ANPC1
SCHEMBL7704094 0.84 MAPT (0.44) KMT2AKDM4EMEN1RAB9ANPC1
SCHEMBL7697933 0.81 POLB (0.50) KDM4ESMN1; SMN2MAPTLMNATP53
SCHEMBL7693843 0.81 TRPV1 (0.47) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7701100 0.80 DGAT1 (0.51) KMT2AKDM4EMEN1RAB9ANPC1
SCHEMBL7695533 0.80 ADCY8 (0.47) KDM4EMAPTADCY8ADCY1HDAC4
SCHEMBL7694280 0.78 KDM4E (0.59) KMT2AKDM4EMEN1RAB9ANPC1
SCHEMBL7695161 0.77 IKBKB (0.50) KDM4EMAPTHSD17B10HDAC4RXFP1
SCHEMBL7702798 0.76 MAPT (0.50) KDM4ERAB9ANPC1SMN1; SMN2MAPT

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed