SCHEMBL9475150

SCHEMBL9475150

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
GRM5 P41594 13/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
FFAR1 O14842 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9483632 0.88 GABRA3 (0.46) METAP1KDM4EHTTALDH1A1MAPT
SCHEMBL9476499 0.81 ADRA1A (0.47) METAP1GRM5KDM4EHTTALDH1A1
SCHEMBL9476301 0.81 SMO (0.39) METAP2
SCHEMBL9476277 0.81 FFAR1 (0.36) GRM5KDM4EHTTALDH1A1MAPT
SCHEMBL9475729 0.80 KDM4E (0.39) METAP2METAP1GRM5KDM4EHTT
SCHEMBL9476318 0.80 ABCC9 (0.34) KDM4EALDH1A1HPGD
SCHEMBL9475857 0.78 KDM4E (0.36) METAP1KDM4EHTTALDH1A1MAPT
SCHEMBL8332841 0.78 METAP2 (0.40) METAP2METAP1GRM5KDM4EHTT
SCHEMBL9475451 0.78 CBFB (0.40) GRM5KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL9476263 0.78 KDM4E (0.34) METAP1KDM4EHTTALDH1A1MAPT

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