SCHEMBL1661454

SCHEMBL1661454

O=C(O)CCc1nc2cc[c]cc2[nH]1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.64
APEX1 P27695 1/20 0.58
KDM4E B2RXH2 3/20 0.55
PRKAG1 P54619 3/20 0.54
PRKAA2 P54646 3/20 0.54
PRKAB1 Q9Y478 3/20 0.54
PRKAA1 Q13131 1/20 0.54
MAPT P10636 2/20 0.51
ALDH1A1 P00352 2/20 0.51
PARP1 P09874 1/20 0.50
PARP2 Q9UGN5 1/20 0.50
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
GFER P55789 1/20 0.42
S1PR1 P21453 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL1663569 0.88 CHRM1 (0.64) CHRM1APEX1KDM4EPRKAG1PRKAA2
Procodazole SCHEMBL838841 0.78 CHRM1 (1.00) CHRM1APEX1KDM4EPRKAG1PRKAA2
Procodazole SCHEMBL349966 0.78 CHRM1 (1.00) CHRM1APEX1KDM4EPRKAG1PRKAA2
Procodazole SCHEMBL29404024 0.78 CHRM1 (1.00) CHRM1APEX1KDM4EPRKAG1PRKAA2
SCHEMBL15361552 0.78 TDP1 (0.51) CHRM1KDM4EMAPTPOLBPKM
SCHEMBL694076 0.78 RAB9A (0.67) CHRM1KDM4EMAPTALDH1A1POLB
SCHEMBL18826597 0.77 MAPT (0.82) CHRM1APEX1KDM4EPRKAG1PRKAA2
Procodazole SCHEMBL5413283 0.75 CHRM1 (0.91) CHRM1APEX1KDM4EPRKAG1PRKAA2
SCHEMBL13187312 0.75 APEX1 (0.72) CHRM1APEX1KDM4EPRKAG1PRKAA2
SCHEMBL11217655 0.73 APEX1 (0.70) CHRM1APEX1KDM4EPRKAG1PRKAA2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011524906-A 2011-09-08 JP claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP claimed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO claimed
EP-2306994-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF Amgen, Inc (US) 2011-04-13 EP disclosed
WO-2009154775-A1 S1P1 RECEPTOR AGONISTS AND USE THEREOF AMGEN INC. (US) 2009-12-23 WO disclosed