SCHEMBL22790101

SCHEMBL22790101

COC(=O)c1cn(C)c2cc(N3CCNCC3)cc(F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDR P35968 1/20 0.39
ADRB1 P08588 3/20 0.39
NR4A2 P43354 4/20 0.39
LMNA P02545 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR3A P46098 1/20 0.36
BRPF1 P55201 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
BRD4 O60885 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL22790116 0.81 SMN1; SMN2 (0.42) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL22790093 0.79 NR4A2 (0.52) KDM4EMEN1KMT2AADRB1NR4A2
SCHEMBL22790109 0.77 KDM4E (0.51) KDM4EMEN1KMT2ANR4A2LMNA
SCHEMBL7652198 0.76 ACVR1 (0.47) KDM4EMEN1KMT2AKDRADRB1
Hydrochloric Acid SCHEMBL27216584 0.75 KDM4E (0.49) KDM4EMEN1KMT2AKDRADRB1
SCHEMBL22790352 0.75 NR4A2 (0.48) KDM4EMEN1KMT2ANR4A2LMNA
SCHEMBL22790396 0.75 NR4A2 (0.46) MEN1KMT2ANR4A2LMNAALDH1A1
SCHEMBL35211364 0.75 NR4A2 (0.46) MEN1KMT2ANR4A2LMNAALDH1A1
SCHEMBL7229124 0.72 ADRB1 (0.46) KDRADRB1CHRM2CHRM4CHRM1
SCHEMBL23044993 0.72 ADRB1 (0.43) KDM4EMEN1KMT2AKDRADRB1

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-2020249064-A1 COMPOUNDS FOR MODULATING FXR NANJING RUIJIE PHARMA CO., LTD. (CN) 2020-12-17 WO disclosed