SCHEMBL9840518

SCHEMBL9840518

CCCCCCC(C)Oc1ccc(-c2ccc(CCCCC)cc2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
MAPT P10636 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ATM Q13315 2/20 0.43
STAT3 P40763 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39

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
SCHEMBL9840461 1.00 RAB9A (0.43) RAB9AMAPTNPC1SMN1; SMN2ATM
SCHEMBL9630649 0.89 RAB9A (0.49) RAB9AMAPTNPC1SMN1; SMN2ATM
SCHEMBL9630624 0.89 RAB9A (0.49) RAB9AMAPTNPC1SMN1; SMN2ATM
SCHEMBL9840404 0.84 L3MBTL1 (0.48) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL9628701 0.82 RARB (0.43) RAB9AMAPTNPC1SMN1; SMN2ATM
SCHEMBL9237482 0.80 KDM4E (0.41) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL9617654 0.79 RAB9A (0.53) RAB9AMAPTNPC1SMN1; SMN2ATM
SCHEMBL9239432 0.79 L3MBTL1 (0.43) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL10749923 0.79 RAB9A (0.45) RAB9AMAPTNPC1SMN1; SMN2ATM
SCHEMBL9239883 0.79 RAB9A (0.45) RAB9AMAPTNPC1SMN1; SMN2ATM

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-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP claimed
EP-0220297-B1 NITROGEN-CONTAINING HETEROCYCLES MERCK PATENT GmbH (DE) 1991-12-11 EP disclosed