SCHEMBL22982108

SCHEMBL22982108

CN1CCN(c2ccc(-c3nc4cc(N)ccc4[nH]3)cc2C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.48
SOAT1 P35610 2/20 0.48
KCNH2 Q12809 2/20 0.48
ASIC3 Q9UHC3 1/20 0.47
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TERT O14746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
TOP1 P11387 2/20 0.43
TOP2A P11388 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CDK2 P24941 2/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
KDR P35968 1/20 0.41
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL29848546 1.00 DGAT1 (0.48) DGAT1SOAT1KCNH2ASIC3PDE3B
SCHEMBL29848592 0.88 NOTUM (0.49) DGAT1SOAT1KCNH2PDE3BPDE3A
SCHEMBL29848643 0.83 CCNA2 (0.53) DGAT1SOAT1KCNH2ASIC3PDE3B
SCHEMBL31289499 0.80 DGAT1 (0.58) DGAT1SOAT1KCNH2TERTSMN1; SMN2
SCHEMBL29848634 0.79 DGAT1 (0.56) DGAT1SOAT1KCNH2TERTSMN1; SMN2
SCHEMBL29959068 0.78 MAPT (0.59) ASIC3PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL880662 0.78 MAPT (0.59) ASIC3PDE3BPDE3ASMN1; SMN2ALDH1A1
SCHEMBL22981809 0.76 MEN1 (0.52) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL29848557 0.76 MEN1 (0.52) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL23011272 0.75 NR1H2 (0.52) PDE3BPDE3ASMN1; SMN2ALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021029665-A1 NOVEL IMIDAZOLE DERIVATIVE EXPRESSING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF 한양대학교 에리카산학협력단 2021-02-18 WO disclosed
WO-2021029665-A1 NOVEL IMIDAZOLE DERIVATIVE EXPRESSING FLT3 INHIBITORY ACTIVITY, AND USE THEREOF 한양대학교 에리카산학협력단 2021-02-18 WO disclosed