SCHEMBL29908708

SCHEMBL29908708

c1ccc2c(c1)NCCc1c-2[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP1A2 P05177 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
HTT P42858 1/20 0.61
CCNT1 O60563 2/20 0.55
CCNB2 O95067 2/20 0.55
CDK1 P06493 2/20 0.55
CCNB1 P14635 2/20 0.55
CCNA2 P20248 2/20 0.55
CDK2 P24941 2/20 0.55
CDK9 P50750 2/20 0.55
CCNA1 P78396 2/20 0.55
CDK5 Q00535 2/20 0.55
CDK5R1 Q15078 2/20 0.55
CCNB3 Q8WWL7 2/20 0.55
GSK3B P49841 1/20 0.55
SIRT2 Q8IXJ6 1/20 0.55

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
SCHEMBL272876 1.00 MEN1 (0.61) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL4552964 0.84 CDK1 (0.62) MEN1KMT2AKDM4ECYP1A2HTT
SCHEMBL20524901 0.84 CDK5 (0.62) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL20524909 0.82 GSK3B (0.65) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL13837458 0.76 MEN1 (0.65) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL797563 0.76 KDM4E (1.00) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL20524896 0.74 KDM4E (0.54) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL12126575 0.74 CA1 (0.71) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL30063877 0.74 CA1 (0.71) MEN1KMT2AKDM4ECYP1A2HPGD
SCHEMBL1394921 0.71 CCNB2 (0.71) MEN1KMT2AKDM4ECYP1A2HPGD

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-11466252-B2 Expansion and differentiation of inner ear supporting cells and methods of use thereof MASSACHUSETTS EYE AND EAR INFIRMARY (US) 2022-10-11 US disclosed