SCHEMBL9145256

SCHEMBL9145256

CCN(CC)c1c(C(N)=O)[nH]c2ccc(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.53
KDM4E B2RXH2 10/20 0.53
HPGD P15428 6/20 0.53
MAPT P10636 4/20 0.53
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAP2 P11137 1/20 0.49
HSD17B10 Q99714 7/20 0.48
LMNA P02545 3/20 0.47
HTT P42858 1/20 0.47
GAA P10253 3/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL9535590 0.88 KDM4E (0.58) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL9141585 0.85 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL2731047 0.77 MAP2 (0.61) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL9144077 0.75 TUBB4A (0.54) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL2351718 0.73 MAP2 (0.48) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL9144716 0.73 ICAM1 (0.56) ALDH1A1KDM4EHPGDMAPTRAB9A
SCHEMBL15427780 0.72 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL15428085 0.71 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDHSD17B10POLB
SCHEMBL15428075 0.71 KDM4E (0.81) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL16711695 0.71 KDM4E (0.70) ALDH1A1KDM4EHPGDCYP1A2CYP2C9

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
US-5424329-A Administering an antiinflammatory agent to prevent leukocytes bonding to vascular endothelium, treating rheumatoid arthritis , asthma, psoriasis and AIDS WARNER-LAMBERT COMPANY (US) 1995-06-13 US claimed
US-5424329-A Administering an antiinflammatory agent to prevent leukocytes bonding to vascular endothelium, treating rheumatoid arthritis , asthma, psoriasis and AIDS WARNER-LAMBERT COMPANY (US) 1995-06-13 US disclosed