SCHEMBL23319685

SCHEMBL23319685

C=C/C(=C(C)/C=C(\C=N)c1cccc(C)c1)C(C)CC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ RAB9A P51151 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30

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
SCHEMBL23320218 0.75 PARP1 (0.37) MAPTALDH1A1TDP1HPGDTP53
SCHEMBL17468521 0.71 PARP1 (0.41) MAPTALDH1A1TDP1HPGDPARP1
SCHEMBL23260541 0.69 PARP1 (0.47) MAPTALDH1A1TDP1HPGDTP53
SCHEMBL17034487 0.67 PARP1 (0.42) MAPTALDH1A1TDP1HPGDPARP1
SCHEMBL24711679 0.66 PARP1 (0.48) TDP1HPGDPARP1RAB9AHDAC8
SCHEMBL5309099 0.65 TDP1 (0.53) KDM4EMAPTALDH1A1HTTTDP1
SCHEMBL20037381 0.64 HDAC8 (0.43) MAPTALDH1A1TDP1HPGDTP53
SCHEMBL16952628 0.64 TDP1 (0.52) MAPTALDH1A1TDP1HPGDTP53
SCHEMBL22808116 0.64 TDP1 (0.41) MAPTALDH1A1TDP1HPGDTP53
SCHEMBL19959693 0.64 SMN1; SMN2 (0.45) MAPTALDH1A1TDP1TP53ATM

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-2021087144-A1 THERAPEUTIC METHODS USING VADADUSTAT AKEBIA THERAPEUTICS, INC. (US) 2021-05-06 — — WO disclosed
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