SCHEMBL11067299

SCHEMBL11067299

O=C(O)c1c(-c2ccccc2)nc2ccn(-c3ccccc3)n2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
DHODH Q02127 5/20 0.38
PDE10A Q9Y233 2/20 0.38
LMNA P02545 1/20 0.38
NTRK1 P04629 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CSF1R P07333 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
SCHEMBL11071312 0.82 CYP1A2 (0.40) MEN1KMT2APDE10ATSHRCYP2C19
SCHEMBL11067252 0.78 FABP3 (0.38) MEN1KMT2ALMNACYP2C19CYP1A2
SCHEMBL11071338 0.72 POLB (0.43) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL11563216 0.71 MEN1 (0.51) MEN1KMT2ADHODHPDE10ATSHR
SCHEMBL11071371 0.70 NOTUM (0.39) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL11066940 0.70 NOTUM (0.39) MEN1KMT2ALMNAHTTKDM4E
SCHEMBL11077329 0.70 KDM4E (0.47) CYP2C9KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL11075539 0.68 USP2 (0.44) MEN1KMT2ATSHRCYP2C19CYP1A2
SCHEMBL11072647 0.67 TSHR (0.46) LMNATSHRCYP2C19CYP2C9HTT
SCHEMBL6409798 0.61 CYP1A2 (0.66) KMT2ANTRK1CYP2C19CYP1A2CYP2C9

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
US-4482555-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS, AND ANALGESIC FARMITALIA CARLO ERBA S.P.A. (IT) 1984-11-13 US disclosed