SCHEMBL29952873

SCHEMBL29952873

[C-]#[N+]Cc1cc(Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
DPP4 P27487 1/20 0.37
PYCR1 P32322 1/20 0.33
DGAT1 O75907 1/20 0.32
POLB P06746 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
TLR7 Q9NYK1 1/20 0.30
USP28 Q96RU2 1/20 0.30

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
SCHEMBL12340510 0.84 PYCR1 (0.42) PYCR1DGAT1KDM1AKDM1B
SCHEMBL29958026 0.84 PYCR1 (0.42) PYCR1DGAT1KDM1AKDM1B
SCHEMBL29956866 0.79 PSEN1 (0.40) DPP4
SCHEMBL29951193 0.78 MEN1 (0.38) POLB
SCHEMBL12340741 0.74 SMN1; SMN2 (0.36) PYCR1POLB
SCHEMBL29137937 0.74 DPP4 (0.41) BRD4BRD2BRD3BRDTDPP4
SCHEMBL138081 0.74 DPP4 (0.41) BRD4BRD2BRD3BRDTDPP4
SCHEMBL1106603 0.72 CCR5 (0.45) BRD4BRD2BRD3BRDTDPP4
SCHEMBL135165 0.72 PTGDR2 (0.49) BRD4BRD2BRD3BRDTDPP4
SCHEMBL20560539 0.72 DPP4 (0.40) BRD4BRD2BRD3BRDTDPP4

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed