SCHEMBL11245671

SCHEMBL11245671

CCn1c(C)c(C2(N(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cccnc32)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 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
SCHEMBL11232126 0.98 KDM4E (0.37) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL11242383 0.93 GSK3A (0.38) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL11247969 0.88 SMN1; SMN2 (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL11237223 0.88 MAPT (0.35) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL11235510 0.87 RORA (0.36) MEN1KMT2ATDP1GSK3AGSK3B
SCHEMBL11063319 0.86 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL29044637 0.86 GSK3A (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL11071245 0.85 ALDH1A1 (0.35) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL11232140 0.82 LYN (0.36) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL11236537 0.81 GSK3A (0.39) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1

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-4337340-A FROM DIPHENYLAMINES AND BENZOYL OR 3-INDOLYLCARBONYL PYRIDINE- OR PYRAZINECARBOXYLIC ACIDS STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4243250-A FUROPYRIDINONES OR FUROPYRAZINONES AS COLOR FORMERS STERLING DRUG INC. (US) 1981-01-06 US disclosed
US-4211872-A COLOR FORMERS FREEDOM CHEMICAL COMPANY 1980-07-08 US disclosed