SCHEMBL9846198

SCHEMBL9846198

COc1cc(C)c(C)nc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 2/20 0.46
PRNP P04156 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
NQO2 P16083 5/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
G6PD P11413 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL25647559 0.79 ALDH1A1 (0.42) MAPTALDH1A1PRNPNPSR1RXFP1
SCHEMBL27752610 0.76 ALDH1A1 (0.43) MAPTALDH1A1PRNPNPSR1RXFP1
SCHEMBL9680298 0.76 PDE4A (0.44) MAPTALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL22222467 0.76 POLB (0.42) MAPTALDH1A1PRNPNPSR1RXFP1
SCHEMBL9681760 0.74 ALDH1A1 (0.39) MAPTALDH1A1KDM4EL3MBTL1ACHE
SCHEMBL694204 0.74 NOS3 (0.41) MAPTALDH1A1KDM4ENQO2NPC1
SCHEMBL21362701 0.73 HMGCR (0.41) MAPTALDH1A1PRNPNPSR1RXFP1
SCHEMBL1912056 0.72 ACHE (0.52) MAPTALDH1A1KDM4EL3MBTL1NQO2
SCHEMBL2954181 0.72 TAAR1 (0.56) MAPTALDH1A1KDM4EL3MBTL1POLB
SCHEMBL14369657 0.71 ALDH1A1 (0.56) MAPTALDH1A1PRNPNPSR1RXFP1

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
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP disclosed