SCHEMBL9475451

SCHEMBL9475451

CC1(C)N=C(c2ccccn2)c2cc(C(F)(F)F)ccc2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TGFBR1 P36897 2/20 0.36
CHRM1 P11229 2/20 0.36
GRM5 P41594 2/20 0.35
KMT2A Q03164 2/20 0.34
GAA P10253 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
NPY5R Q15761 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL9475647 0.82 CBFB (0.43) CBFBCHRM1GRM5KMT2AMEN1
SCHEMBL9476499 0.81 ADRA1A (0.47) NPC1RAB9ASMN1; SMN2CHRM1GRM5
SCHEMBL9475729 0.80 KDM4E (0.39) NPC1RAB9AMAPK1SMN1; SMN2CHRM1
SCHEMBL9372830 0.79 DRD2 (0.39) CBFBMAPK1SMN1; SMN2GRM5KMT2A
SCHEMBL27344045 0.79 TP53 (0.33) NPC1RAB9AMAPTATMKDM4E
SCHEMBL9477563 0.78 SLC40A1 (0.38) RAB9ASMN1; SMN2NPSR1
SCHEMBL9475857 0.78 KDM4E (0.36) NPC1RAB9AMAPK1SMN1; SMN2CHRM1
SCHEMBL9523928 0.78 CBFB (0.40) CBFBNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL9483632 0.78 GABRA3 (0.46) NPC1RAB9ASMN1; SMN2CHRM1ALDH1A1
SCHEMBL9475150 0.78 METAP2 (0.40) SMN1; SMN2GRM5ALDH1A1MAPTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1060467-A 1,3-benzoxazine derivatives, its production method and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-04-22 CN claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed
CN-1060467-A 1,3-benzoxazine derivatives, its production method and purposes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1992-04-22 CN disclosed
EP-0477789-A1 1,3-Benzoxazine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-01 EP disclosed