SCHEMBL20853006

SCHEMBL20853006

C=Cc1cc2ccccc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.54
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
CYP19A1 P11511 1/20 0.46
ESR1 P03372 2/20 0.45
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SRC P12931 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TNF P01375 1/20 0.41
P2RX4 Q99571 1/20 0.41
PLA2G10 O15496 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE6D O43924 1/20 0.41
ALDH2 P05091 1/20 0.41

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
SCHEMBL20937290 0.89 CCR2 (0.56) CCR2KDM4EALDH1A1HTTESR1
SCHEMBL20853014 0.88 ALDH1A1 (0.43) CCR2HPGDKDM4EALDH1A1GAA
SCHEMBL20853230 0.85 PPARG (0.46) CCR2HPGDKDM4EALDH1A1GAA
SCHEMBL27764947 0.84 CCR2 (0.49) CCR2KDM4EALDH1A1KMT2A
SCHEMBL20853252 0.84 SRC (0.47) CCR2HPGDKDM4EALDH1A1GAA
SCHEMBL4797082 0.83 CCR2 (0.58) CCR2HPGDKDM4EALDH1A1GAA
SCHEMBL27764949 0.83 CCR2 (0.44) CCR2KDM4EALDH1A1GAAHTT
SCHEMBL27764615 0.83 MIF (0.47) HPGDALDH1A1HTTLMNASMN1; SMN2
SCHEMBL5365135 0.81 CCR2 (0.51) CCR2HPGDKDM4EALDH1A1GAA
SCHEMBL5365133 0.81 CCR2 (0.51) CCR2HPGDKDM4EALDH1A1GAA

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
WO-2019077631-A1 IMIDAZO-PYRIDINE COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-04-25 WO disclosed
WO-2019058393-A1 HETEROCYCLIC COMPOUNDS AS PAD INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2019-03-28 WO disclosed
CN-101456840-B Substituted tetrahydro carbazole derivates with optically UNIV HUAZHONG NORMAL 2011-05-11 CN disclosed
CN-101585801-A Tetrahydrocarbazole compound and synthetic method thereof that the 3-indyl replaces UNIV HUAZHONG NORMAL (CN) 2009-11-25 CN disclosed
CN-101456840-A Substituted tetrahydro carbazole derivates with optically activity and synthetic method thereof UNIV HUAZHONG NORMAL (CN) 2009-06-17 CN disclosed