SCHEMBL9550304

SCHEMBL9550304

CC(C)(c1ccc(Oc2cccc3c2C(=O)N(C#N)C3=O)cc1)c1ccc(Oc2cccc3c2C(=O)N(C#N)C3=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 3/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
KMT2A Q03164 2/20 0.37
DDB1 Q16531 2/20 0.35
CRBN Q96SW2 2/20 0.35
MCL1 Q07820 3/20 0.35
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
BRD4 O60885 2/20 0.31
GAPDH P04406 1/20 0.30
STK10 O94804 1/20 0.30
SLK Q9H2G2 1/20 0.30
MAPT P10636 2/20 0.30
PLA2G1B P04054 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL11077691 0.82 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL11347532 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL14819082 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL11077941 0.75 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL19927865 0.74 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL29674513 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL427290 0.73 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL9550305 0.72 KCNA5 (0.40) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL22315112 0.71 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNAHPGDKDM4E
SCHEMBL11908954 0.71 ADORA2A (0.49) ALDH1A1SMN1; SMN2LMNAKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP claimed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO claimed
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed