SCHEMBL5149971

SCHEMBL5149971

N#Cc1ccc(-n2ccc(CO)n2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.62
JAK2 O60674 1/20 0.51
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AR P10275 3/20 0.45
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPKAPK2 P49137 1/20 0.39
EP300 Q09472 1/20 0.37
CA12 O43570 1/20 0.36
CA3 P07451 1/20 0.36
CA6 P23280 1/20 0.36
CA14 Q9ULX7 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP19A1 P11511 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
SCHEMBL23176209 0.85 NOTUM (0.45) NOTUMJAK2MAPTALDH1A1LMNA
SCHEMBL5184017 0.85 NOTUM (0.45) NOTUMJAK2MAPTALDH1A1LMNA
SCHEMBL15352616 0.79 ALDH1A1 (0.47) NOTUMMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL5149586 0.77 HRH3 (0.43) NOTUMJAK2MAPTALDH1A1LMNA
SCHEMBL23451495 0.77 NOTUM (1.00) NOTUMMAPTCA2CA9CA1
SCHEMBL16322113 0.77 NOTUM (0.59) NOTUMMAPTALDH1A1LMNAAR
SCHEMBL12438819 0.77 NOTUM (0.59) NOTUMMAPTALDH1A1SMN1; SMN2AR
SCHEMBL5185511 0.76 HRH3 (0.44) NOTUMJAK2LMNAAROPRM1
SCHEMBL15603518 0.76 L3MBTL1 (0.56) NOTUMMAPTALDH1A1KDM4EELOVL1
SCHEMBL29229644 0.75 AR (0.60) NOTUMAR

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-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 WO disclosed