SCHEMBL6746166

SCHEMBL6746166

CC(=O)Nc1ccc2c(ccc3ccccc32)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.62
KMT2A Q03164 6/20 0.58
KDM4E B2RXH2 5/20 0.58
MEN1 O00255 4/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
PABPC1 P11940 1/20 0.58
POLB P06746 1/20 0.57
ESRRA P11474 1/20 0.55
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
MAOA P21397 1/20 0.54
GLA P06280 2/20 0.53
TNNI3 P19429 1/20 0.53
TNNT2 P45379 1/20 0.53
TNNC1 P63316 1/20 0.53
RUNX1 Q01196 1/20 0.53
CBFB Q13951 1/20 0.53

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
SCHEMBL6138266 0.98 MAPT (0.60) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL7820599 0.92 MAOA (0.61) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL3952992 0.91 KMT2A (0.60) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL1176635 0.85 MEN1 (0.69) MAPTALDH1A1KMT2AKDM4EMEN1
Anthracene SCHEMBL29076817 0.84 MEN1 (0.67) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL8549110 0.84 RAB9A (0.62) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL3776520 0.82 KMT2A (0.65) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL1122275 0.81 HSD17B1 (0.76) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL11900180 0.81 CASP6 (0.68) MAPTALDH1A1HPGDKMT2AKDM4E
SCHEMBL29963136 0.81 HSD17B1 (0.76) MAPTALDH1A1KMT2AKDM4EMEN1

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
US-20040126892-A1 Methods for characterizing a mixture of chemical compounds ADVANCED CHEMISTRY DEVELOPMENT (CA) 2004-07-01 US disclosed