SCHEMBL4669258

SCHEMBL4669258

CCn1ccnc1[C@H](C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3401057 0.79 KDM4E (0.67) KMT2AMAPTKDM4ELMNAALDH1A1
SCHEMBL27943245 0.78 MAPT (0.42) KMT2AMAPTKDM4ELMNAALDH1A1
Hydrochloric Acid SCHEMBL29054527 0.77 KDM4E (0.65) KMT2AMAPTKDM4ELMNAALDH1A1
SCHEMBL698829 0.75 NPC1 (0.39) KMT2AKDM4ELMNACYP1A2CYP2D6
SCHEMBL5297053 0.75 SMN1; SMN2 (0.56) KMT2AMAPTALDH1A1CYP2D6CYP2C19
SCHEMBL698574 0.74 KMT2A (0.50) KMT2AMAPTLMNAALDH1A1CYP1A2
SCHEMBL698793 0.74 KMT2A (0.50) KMT2AMAPTLMNAALDH1A1CYP1A2
SCHEMBL697267 0.74 KMT2A (0.49) KMT2AMAPTLMNAALDH1A1CYP1A2
SCHEMBL698133 0.74 KMT2A (0.49) KMT2ALMNACYP1A2CYP2D6CYP2C19
SCHEMBL23409262 0.73 KDM4E (0.47) KMT2AKDM4EALDH1A1CYP1A2CYP2D6

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
EP-1995305-A1 Fungal biocatalysis process in a culture media containing water miscible ionic liquids Instituto de Biologia Experimental e Tecnologia (IBET) (PT) 2008-11-26 EP disclosed