SCHEMBL7993066

SCHEMBL7993066

Cc1ccc2cccc(C3CO3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.49
CCR1 P32246 1/20 0.47
RAB9A P51151 1/20 0.47
CCR5 P51681 1/20 0.47
PARP1 P09874 1/20 0.42
GLO1 Q04760 2/20 0.41
CYP1A2 P05177 1/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
AGTR1 P30556 1/20 0.37
PAX8 Q06710 1/20 0.37
SLC40A1 Q9NP59 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1712491 0.79 MTNR1A (0.41) RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL7117048 0.76 PARP1 (0.47) RAB9APARP1CYP1A2MEN1KMT2A
SCHEMBL25312907 0.75 METAP2 (0.47) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL2115749 0.69 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL806441 0.69 CCR1 (0.64) METAP2CCR1RAB9ACCR5PARP1
8-Hydroxy Quinaldine SCHEMBL1715251 0.68 METAP2 (0.57) METAP2CCR1RAB9ACCR5PARP1
8-Hydroxy Quinaldine SCHEMBL2059590 0.68 METAP2 (0.57) METAP2CCR1RAB9ACCR5PARP1
8-Hydroxy Quinaldine SCHEMBL1714719 0.68 METAP2 (0.57) METAP2CCR1RAB9ACCR5PARP1
SCHEMBL13991767 0.68 CCR1 (0.48) METAP2CCR1KMT2AALDH1A1TSHR
8-Hydroxy Quinaldine SCHEMBL4399934 0.68 METAP2 (0.57) METAP2CCR1RAB9ACCR5PARP1

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
WO-2000015617-A1 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-03-23 WO disclosed