SCHEMBL29956866

SCHEMBL29956866

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
DPP4 P27487 3/20 0.39
CA3 P07451 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
RIPK1 Q13546 2/20 0.36
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MPO P05164 1/20 0.33

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
SCHEMBL29953521 0.83 IDO1 (0.48) CA3CA6CA5ACA9CA14
SCHEMBL29951193 0.81 MEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29952873 0.79 BRD4 (0.37) DPP4
SCHEMBL11919544 0.79 DPP4 (0.33) DPP4RIPK1
SCHEMBL29951447 0.75 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL2580354 0.75 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL5252643 0.74 MPO (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7700255 0.74 CA3 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29953492 0.73 TAAR1 (0.48) IDO1ALDH1A1MEN1KMT2A
SCHEMBL12245650 0.73 TAAR1 (0.48) IDO1ALDH1A1MEN1KMT2A

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