SCHEMBL11314940

SCHEMBL11314940

CC(C)(C)c1ccc(CNCCCNc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
MITF O75030 1/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HDAC3 O15379 4/20 0.50
HDAC4 P56524 4/20 0.50
HDAC1 Q13547 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC10 Q969S8 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC6 Q9UBN7 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
DRD4 P21917 1/20 0.50
KMT2A Q03164 1/20 0.48
MAOA P21397 1/20 0.47
CHRM2 P08172 1/20 0.46

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
Hydrochloric Acid SCHEMBL11315363 0.98 KDM4E (0.52) KDM4EMITFGAAALDH1A1MAPT
SCHEMBL5175715 0.91 KMT2A (0.50) KDM4EMITFGAAHDAC3HDAC4
SCHEMBL10045129 0.84 HDAC3 (0.61) KDM4EMITFGAAHDAC3HDAC4
SCHEMBL10045164 0.82 HDAC3 (0.63) KDM4EMITFGAAHDAC3HDAC4
SCHEMBL7995375 0.82 CA1 (0.59) KMT2ACA1CA2MAOBLMNA
SCHEMBL10045159 0.82 HDAC3 (0.63) KDM4EMITFGAAHDAC3HDAC4
SCHEMBL3237536 0.81 SIGMAR1 (0.64) KDM4EMITFGAAMAPTHDAC3
SCHEMBL10045167 0.80 HDAC3 (0.63) KDM4EMITFGAAHDAC3HDAC4
SCHEMBL13166768 0.79 HDAC3 (0.53) KDM4EMITFGAAHDAC3HDAC4
SCHEMBL25381118 0.78 CA1 (0.58) KDM4EMITFGAAHDAC3HDAC4

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-4268439-A Basic azo dyestuffs having benzylammoniumamine substituent in the coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-05-19 US disclosed