SCHEMBL11269310

SCHEMBL11269310

COc1ccc(C2(C3(c4ccc(OC)cc4Cl)N=C(c4ccccc4)C(c4ccccc4)=N3)N=C(c3ccccc3)C(c3ccccc3)=N2)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CHRM1 P11229 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL11268438 0.85 ALDH1A1 (0.43) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL491149 0.84 CYP1A1 (0.45) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL11278246 0.82 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL490794 0.82 RELA (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29660677 0.81 DYRK1A (0.43) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL82380 0.81 DYRK1A (0.43) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL80380 0.80 CHRM1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL82274 0.76 TAAR1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29362744 0.76 TAAR1 (0.40) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8667011 0.75 ABL1 (0.46) KDM4ENPC1RAB9AALDH1A1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed