SCHEMBL9375674

SCHEMBL9375674

CC1(C)N=C(n2ccccc2=O)c2cc(C(N)=O)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.39
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
BRD4 O60885 1/20 0.33
BRPF1 P55201 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
BAZ2B Q9UIF8 1/20 0.33
BAZ2A Q9UIF9 1/20 0.33
PDK2 Q15119 1/20 0.32
TSHR P16473 1/20 0.32
FGFR1 P11362 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31

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
SCHEMBL9373865 0.90 F10 (0.33) F10
SCHEMBL9372182 0.90 KMT2A (0.36) ALDH1A1HSD17B10AKT1AKT2HDAC3
SCHEMBL9371485 0.90 S100A4 (0.37) F10KDM4EALDH1A1PDK2FGFR1
SCHEMBL9372114 0.87 ALOX5 (0.40) F10ALDH1A1SMN1; SMN2PDK2FGFR1
SCHEMBL10435671 0.86 HDAC3 (0.36) F10KDM4EALDH1A1SMN1; SMN2HDAC3
SCHEMBL9379871 0.84 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9376016 0.84 HRH4 (0.34) ALDH1A1SMN1; SMN2BRD4BRPF1TSHR
SCHEMBL10435504 0.82 KDM4E (0.36) F10KDM4EALDH1A1HSD17B10
SCHEMBL9372466 0.81 HSD11B1 (0.33) F10KDM4EALDH1A1
SCHEMBL9372171 0.81 F10 (0.35) F10KDM4EALDH1A1SMN1; SMN2TSHR

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
EP-0371312-B1 Benzoxazine derivatives MERCK PATENT GMBH (DE) 1994-07-20 EP disclosed
US-5036068-A Cardiovascular disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-07-30 US disclosed