SCHEMBL29137937

SCHEMBL29137937

FCc1cc(Br)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.41
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
DGAT1 O75907 1/20 0.36
PYCR1 P32322 1/20 0.36
POLB P06746 1/20 0.35
KDM1A O60341 3/20 0.34
KDM1B Q8NB78 1/20 0.34
GAA P10253 2/20 0.33
USP28 Q96RU2 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL15806743 0.81 PYCR1 (0.47) DGAT1PYCR1KDM1AKDM1BNPC1
SCHEMBL31448605 0.81 PYCR1 (0.47) DGAT1PYCR1KDM1AKDM1BNPC1
SCHEMBL138081 0.81 DPP4 (0.41) DPP4BRD4BRD2BRD3BRDT
SCHEMBL1106603 0.79 CCR5 (0.45) DPP4BRD4BRD2BRD3BRDT
SCHEMBL20560539 0.79 DPP4 (0.40) DPP4BRD4BRD2BRD3BRDT
SCHEMBL15352101 0.79 DPP4 (0.40) DPP4BRD4BRD2BRD3BRDT
SCHEMBL6998004 0.79 DPP4 (0.40) DPP4BRD4BRD2BRD3BRDT
SCHEMBL135165 0.79 PTGDR2 (0.49) DPP4BRD4BRD2BRD3BRDT
SCHEMBL30138589 0.79 BRD4 (0.42) DPP4BRD4BRD2BRD3BRDT
SCHEMBL3074139 0.79 BRD4 (0.42) DPP4BRD4BRD2BRD3BRDT

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
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed