SCHEMBL8749880

SCHEMBL8749880

O=c1ncccc(Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.40
CALM1 P0DP23 1/20 0.39
FEN1 P39748 1/20 0.39
MAOB P27338 1/20 0.39
MET P08581 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.38
PAX8 Q06710 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL2023607 0.89 LMNA (0.49) BRD4L3MBTL1POLBFEN1CYP1A2
SCHEMBL8945825 0.78 L3MBTL1 (0.43) BRD4L3MBTL1CALM1METCYP1A2
SCHEMBL64435 0.76 L3MBTL1 (0.68) L3MBTL1POLBCALM1MAOBCYP1A2
SCHEMBL29373231 0.76 L3MBTL1 (0.68) L3MBTL1POLBCALM1MAOBCYP1A2
SCHEMBL11330543 0.75 KCNH2 (0.62) BRD4L3MBTL1POLBCALM1MAOB
SCHEMBL8136730 0.74 L3MBTL1 (0.43) L3MBTL1POLBCALM1MAOBMET
Hydrochloric Acid SCHEMBL31087535 0.74 L3MBTL1 (0.71) L3MBTL1POLBCALM1MAOBCYP1A2
SCHEMBL31236458 0.74 L3MBTL1 (0.66) L3MBTL1POLBCALM1MAOBCYP1A2
Bromide SCHEMBL10759788 0.74 L3MBTL1 (0.66) L3MBTL1POLBCALM1MAOBCYP1A2
SCHEMBL31276017 0.74 L3MBTL1 (0.66) L3MBTL1POLBCALM1MAOBCYP1A2

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
EP-0762880-A1 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1997-03-19 EP claimed
WO-1995033464-A2 RETROVIRAL PROTEASE INHIBITOR COMBINATIONS G.D. SEARLE & CO. (US) 1995-12-14 WO claimed