SCHEMBL30341896

SCHEMBL30341896

COc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.89
NPC1 O15118 10/20 0.89
SMN1; SMN2 Q16637 4/20 0.89
TP53 P04637 3/20 0.89
ALOX15 P16050 1/20 0.89
PLAU P00749 1/20 0.77
ALDH1A1 P00352 3/20 0.71
CYP1A2 P05177 2/20 0.71
KDM4E B2RXH2 1/20 0.71
KMT2A Q03164 5/20 0.70
MEN1 O00255 3/20 0.70
CYP3A4 P08684 1/20 0.70
GAA P10253 1/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
XDH P47989 1/20 0.68
GPR35 Q9HC97 1/20 0.68
POLB P06746 2/20 0.67
CTDSP1 Q9GZU7 1/20 0.67

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
SCHEMBL6799157 0.94 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL4789008 0.94 RAB9A (0.82) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8770881 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6361263 0.89 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL20284424 0.89 RAB9A (0.71) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8398096 0.88 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL330082 0.88 NPC1 (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22640296 0.88 RAB9A (0.86) RAB9ANPC1SMN1; SMN2TP53ALOX15

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
CN-111303417-B Photocrosslinkable polyimide resin 上海极紫科技有限公司 2023-03-21 CN disclosed