SCHEMBL3372575

SCHEMBL3372575

Nc1c(C2CC2)ccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 4/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
KEAP1 Q14145 1/20 0.45
KDM1A O60341 1/20 0.44
CYP2A6 P11509 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A4 P31645 2/20 0.41
DRD2 P14416 1/20 0.41
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11243776 0.91 CYP1B1 (0.42) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL248440 0.79 SLC6A4 (0.59) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL30477104 0.79 SLC6A4 (0.59) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL18989480 0.75 HTR2C (0.38) ACHEBCHE
SCHEMBL2747075 0.73 KDM4E (0.42) ALDH1A1HSD17B10HPGDKDM1AKDM4E
SCHEMBL29127161 0.72 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL29222020 0.72 DRD2 (0.39) ALDH1A1HSD17B10TSHRHPGDKDM1A
SCHEMBL15413698 0.72 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRHPGDKDM1A
SCHEMBL28545139 0.72 ALDH1A1 (0.52) ALDH1A1HSD17B10TSHRHPGDKDM1A
SCHEMBL3968194 0.71 SLC6A4 (0.56) ALDH1A1HSD17B10TSHRHPGDKDM1A

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
WO-2010048592-A1 COMPOSITIONS COMPRISING 4- (2- ( 5-BR0M0-4- ( 1-CYCLOPROPYLNAPHTHALEN-4-YL) -4H-1, 2, 4-TRIAZ0L-3-YLTHI0) ACETAMIDO -3-CHLOROBENZOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF ARDEA BIOSCIENCES, INC. (US) 2010-04-29 WO disclosed