SCHEMBL8155035

SCHEMBL8155035

O=C(NCCF)c1cc2c(cn1)[nH]c1ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.78
MEN1 O00255 4/20 0.78
RAB9A P51151 2/20 0.78
POLB P06746 1/20 0.78
HDAC3 O15379 5/20 0.73
HDAC4 P56524 5/20 0.73
HDAC1 Q13547 5/20 0.73
HDAC7 Q8WUI4 5/20 0.73
HDAC2 Q92769 5/20 0.73
HDAC10 Q969S8 5/20 0.73
HDAC11 Q96DB2 5/20 0.73
HDAC8 Q9BY41 5/20 0.73
HDAC6 Q9UBN7 5/20 0.73
HDAC9 Q9UKV0 5/20 0.73
HDAC5 Q9UQL6 5/20 0.73
KDM4E B2RXH2 3/20 0.67
ALDH1A1 P00352 3/20 0.67
LMNA P02545 3/20 0.67
MAPT P10636 3/20 0.67
CYP1A2 P05177 2/20 0.67

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
SCHEMBL12377091 1.00 KMT2A (0.78) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL8146978 0.93 KMT2A (0.82) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL13697478 0.90 KMT2A (0.78) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL7384067 0.85 ALDH1A1 (0.74) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL2253820 0.83 ALDH1A1 (0.75) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL1366897 0.81 KDM4E (0.77) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL30232368 0.80 ALDH1A1 (1.00) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL29425001 0.80 ALDH1A1 (1.00) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL194445 0.80 ALDH1A1 (1.00) KMT2AMEN1RAB9APOLBHDAC3
SCHEMBL8146977 0.80 GABRA1 (0.78) KMT2AKDM4EALDH1A1LMNAMAPT

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-2008132454-A1 CARBOLINES AND THEIR USE AS IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2008-11-06 WO disclosed