SCHEMBL14387701

SCHEMBL14387701

CN(C)c1ccc(C(=N)C2CCN(C(=O)C3CCN(Cc4cnc(N)nc4)CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ACKR3 P25106 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL13409985 0.89 L3MBTL1 (0.51) ALDH1A1KMT2AMEN1TSHRL3MBTL1
SCHEMBL13409046 0.87 ALDH1A1 (0.48) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL13409986 0.87 CYP3A4 (0.46) KDM4EKMT2AMEN1TSHR
SCHEMBL13409979 0.87 KMT2A (0.55) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL13409679 0.86 PRKAA2 (0.49) KDM4EALDH1A1KMT2AMEN1CYP2D6
SCHEMBL13409748 0.86 CYP3A4 (0.46) KMT2AMEN1TSHRCYP2D6
SCHEMBL13409111 0.85 KMT2A (0.51) ALDH1A1KMT2AMEN1TSHRCA12
SCHEMBL13409686 0.84 PRKAB2 (0.45) KMT2AMEN1TSHRACKR3POLB
SCHEMBL14078600 0.84 KDM4E (0.45) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL13392202 0.84 KDM4E (0.45) KDM4EALDH1A1KMT2AMEN1TSHR

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-7300941-B2 Non-imidazole compounds SCHERING CORPORATION (US) 2007-11-27 — — US disclosed
Send feedback