SCHEMBL21761804

SCHEMBL21761804

Cc1ccc(N2CCN(C)CC2)cc1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
HTR3A P46098 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 3/20 0.50
MAPT P10636 3/20 0.50
PTK2B Q14289 2/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
ADRA2C P18825 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.48
ESR2 Q92731 1/20 0.48
ADRB1 P08588 1/20 0.44
SIRT6 Q8N6T7 3/20 0.43

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
SCHEMBL21761899 0.93 CHKA (0.50) KDM4ENPC1RAB9AHTR3ASMN1; SMN2
SCHEMBL12062696 0.85 HPGD (0.47) KDM4ENPC1RAB9ASMN1; SMN2GAA
SCHEMBL8320347 0.82 ADRB1 (0.63) KDM4ENPC1RAB9AHTR3ASMN1; SMN2
SCHEMBL21761916 0.81 GAA (0.62) KDM4ESMN1; SMN2GAAMAPTKMT2A
SCHEMBL21761909 0.81 MAPT (0.53) KDM4ESMN1; SMN2GAAMAPTKMT2A
SCHEMBL21761921 0.80 ADRB1 (0.38) KDM4ENPC1RAB9AHTR3ASMN1; SMN2
SCHEMBL15217395 0.80 ADRB1 (0.71) HTR3AHTTADRB1
SCHEMBL8318825 0.79 MAPT (0.59) KDM4ENPC1RAB9AHTR3ASMN1; SMN2
SCHEMBL18163967 0.79 CHKA (0.53) KDM4ENPC1RAB9AHTR3ASMN1; SMN2
SCHEMBL21761962 0.78 DRD2 (0.43) KDM4ESMN1; SMN2GAAMAPTMAPK1

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-2020038458-A1 CLASS OF FUSED RING TRIAZOLE COMPOUND, PREPARATION METHOD, AND USE 如东凌达生物医药科技有限公司 2020-02-27 WO disclosed