SCHEMBL12377430

SCHEMBL12377430

COCC(=O)NCCOCCn1cc(C)nn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.37
HPGD P15428 6/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 1/20 0.34
ALOX15 P16050 1/20 0.34
F2RL1 P55085 1/20 0.33
TP53 P04637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25819734 0.84 POLB (0.34) KDM4ELMNAPOLBALDH1A1
SCHEMBL15281169 0.83 MTNR1A (0.35) TSHRF2RL1TP53
SCHEMBL19237476 0.83 CA12 (0.34) KDM4ECYP2C19F2RL1
SCHEMBL15281105 0.78 RAB9A (0.32) HPGDKDM4ELMNAALDH1A1F2RL1
SCHEMBL25819729 0.78 KMT2A (0.33) KDM4ELMNAPOLBALDH1A1TSHR
SCHEMBL25819728 0.77 DPP4 (0.35) POLBALDH1A1MAPT
SCHEMBL18761189 0.76 HDAC3 (0.35) POLB
SCHEMBL15281111 0.76 CHRNA7 (0.38) KDM4EALDH1A1MAPT
SCHEMBL17586038 0.76 CHRNA7 (0.38) KDM4EALDH1A1MAPT
SCHEMBL15223677 0.76 CHRNA7 (0.38) KDM4EALDH1A1MAPT

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-7999083-B2 Immunoconjugates with an intracellularly-cleavable linkage IMMUNOMEDICS, INC. (US) 2011-08-16 US disclosed