SCHEMBL29954817

SCHEMBL29954817

[C-]#[N+]Cc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
PYCR1 P32322 1/20 0.47
GPR84 Q9NQS5 1/20 0.43
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
KDR P35968 1/20 0.40
NOTUM Q6P988 1/20 0.38
ABCB11 O95342 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRL1 P41146 2/20 0.37
KDM4E B2RXH2 1/20 0.37
OPRM1 P35372 1/20 0.37
P2RX7 Q99572 1/20 0.37
FAAH O00519 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL10656615 0.79 IDO1 (0.65) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL932921 0.77 IDO1 (0.62) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL3756416 0.77 IDO1 (0.52) IDO1SLC6A4LMNA
SCHEMBL14157282 0.76 IDO1 (0.61) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL257060 0.76 IDO1 (0.61) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL24969799 0.76 IDO1 (0.61) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL31731921 0.76 IDO1 (0.61) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL14541391 0.76 IDO1 (0.61) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL932893 0.76 IDO1 (0.61) IDO1PYCR1GPR84HTR3EHTR3B
SCHEMBL120051 0.76 IDO1 (0.61) IDO1PYCR1GPR84HTR3EHTR3B

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