SCHEMBL14560412

SCHEMBL14560412

CC(=O)NCCc1c(C=O)[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.65
MTNR1B P49286 8/20 0.65
CYP1A2 P05177 4/20 0.65
CYP2C19 P33261 4/20 0.65
TSHR P16473 3/20 0.65
CYP3A4 P08684 3/20 0.65
HPGD P15428 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP2C9 P11712 2/20 0.65
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
BLM P54132 1/20 0.52
ALOX15 P16050 2/20 0.51
PABPC1 P11940 1/20 0.51
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9667084 0.81 MTNR1A (0.65) MTNR1AMTNR1BCYP1A2CYP2C19TSHR
SCHEMBL6947949 0.81 MTNR1A (0.64) MTNR1AMTNR1BCYP1A2CYP2C19TSHR
SCHEMBL24098945 0.80 MTNR1A (0.72) MTNR1AMTNR1BCYP1A2CYP2C19TSHR
Luzindole SCHEMBL4869000 0.79 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2CYP2C19TSHR
SCHEMBL14560403 0.78 RAD52 (0.48) MTNR1AMTNR1BCYP1A2CYP2C19TSHR
SCHEMBL28804680 0.78 RAB9A (0.54) TSHRHPGDALOX15PABPC1ALDH1A1
SCHEMBL14560404 0.77 EGFR (0.62) ALDH1A1MAPTKDM4E
SCHEMBL14560402 0.77 KDM4E (0.64) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL9401161 0.76 MTNR1A (0.84) MTNR1AMTNR1BCYP1A2CYP2C19TSHR
SCHEMBL14560406 0.76 EGFR (0.66) CYP3A4ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 US disclosed
US-7189721-B2 Bicyclic protein kinase inhibitors SUGEN INC. (US) 2007-03-13 US disclosed