SCHEMBL6889639

SCHEMBL6889639

COSCCCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAOB P27338 1/20 0.42
PTPN1 P18031 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 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
SCHEMBL5584031 0.90 ALDH1A1 (0.51) ALDH1A1TSHRHTTHPGDTDP1
SCHEMBL20749087 0.79 ALDH1A1 (0.53) ALDH1A1TSHRHTTHPGDTDP1
SCHEMBL28912669 0.78 ALDH1A1 (0.51) ALDH1A1TSHRHTTHPGDTDP1
SCHEMBL28098859 0.77 ALDH1A1 (0.55) ALDH1A1TSHRHTTHPGDTDP1
SCHEMBL30543046 0.76 ALDH1A1 (0.58) ALDH1A1TSHRHPGDSIGMAR1HSD17B10
SCHEMBL30543045 0.76 ALDH1A1 (0.58) ALDH1A1TSHRHPGDSIGMAR1HSD17B10
SCHEMBL6679612 0.76 ALDH1A1 (0.58) ALDH1A1TSHRHPGDSIGMAR1HSD17B10
SCHEMBL6889642 0.76 ALDH1A1 (0.54) ALDH1A1TSHRHTTHPGDL3MBTL1
SCHEMBL3202573 0.75 ALDH1A1 (0.72) ALDH1A1TSHRHTTHPGDTDP1
SCHEMBL2244893 0.75 ALDH1A1 (0.56) ALDH1A1TSHRHPGDGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425417-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS Clondiag Chip Technologies GmbH (DE) 2004-06-09 EP disclosed
WO-2003018838-A2 INTERACTION DETECTION ON SEVERAL PROBE ARRAYS CLONDIAG CHIP TECHNOLOGIES GMBH (DE) 2003-03-06 WO disclosed