SCHEMBL14280204

SCHEMBL14280204

C=C(C)c1ccc(-n2c(-c3ccccc3)cc(-c3ccccc3)c2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
PLK1 P53350 1/20 0.44
HTT P42858 3/20 0.43
PKM P14618 2/20 0.43
CYP2C9 P11712 1/20 0.42
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CHRNA7 P36544 1/20 0.39
TSHR P16473 1/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MYC P01106 1/20 0.38
MAPK1 P28482 1/20 0.38
PTGS2 P35354 1/20 0.37
HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL14280209 0.85 HTT (0.55) MAPTALDH1A1PLK1HTTPKM
SCHEMBL438258 0.84 ALDH1A1 (0.62) MAPTALDH1A1PLK1HTTPKM
SCHEMBL10205950 0.83 PLK1 (0.54) ALDH1A1PLK1HTTCYP2C9HPGD
SCHEMBL437676 0.73 ALDH1A1 (0.67) MAPTALDH1A1PLK1HTTPKM
SCHEMBL435644 0.71 RXRA (0.58) MAPTALDH1A1PLK1SMN1; SMN2CHRNA7
SCHEMBL437666 0.70 L3MBTL1 (0.49) MAPTALDH1A1PLK1CHRNA7PTGS2
SCHEMBL438115 0.70 TDP1 (0.58) MAPTALDH1A1PLK1PKMHPGD
SCHEMBL20198486 0.69 AVPR1A (0.61) MAPTALDH1A1HPGDKDM4ELMNA
SCHEMBL4502407 0.68 SMN1; SMN2 (0.60) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL266136 0.68 PLK1 (0.55) MAPTALDH1A1PLK1HTTPKM

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-2008031034-A2 THERAPEUTIC COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2008-03-13 WO disclosed