SCHEMBL29950147

SCHEMBL29950147

CC(C)c1ccc(Nc2ccc(Nc3ccc(C(C)C)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.59
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
POLB P06746 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
KIF11 P52732 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
ALOX15 P16050 2/20 0.46
TSHR P16473 2/20 0.46
ALOX12 P18054 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46
RAB9A P51151 4/20 0.46

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
SCHEMBL3958499 1.00 NFKB1 (0.59) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL5686059 0.92 KIF11 (0.57) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL13769426 0.92 KIF11 (0.57) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL2749867 0.90 ALDH1A1 (0.62) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL11289104 0.90 ALDH1A1 (0.56) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL18792761 0.90 ALDH1A1 (0.56) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL2750389 0.90 HPGD (0.56) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL5866580 0.90 NFKB1 (0.57) NFKB1ALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL11560399 0.88 ESR1 (0.52) NFKB1ALDH1A1SMN1; SMN2POLBGAA
SCHEMBL11659836 0.88 ALDH1A1 (0.65) NFKB1ALDH1A1SMN1; SMN2POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455298-B1 QUINACRIDONE PIGMENT AND A PROCESS FOR PREPARATION THEREOF GHARDA KEKI HORMUSJI (IN) 2022-10-26 EP claimed