SCHEMBL30852121

SCHEMBL30852121

FC(F)(F)Cc1cccnc1CCl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
CGAS Q8N884 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
DPP4 P27487 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
Hydrochloric Acid SCHEMBL30851802 0.98 ALDH1A1 (0.32) ALDH1A1L3MBTL1CASP3SENP8SENP7
SCHEMBL20818450 0.85 ALDH1A1 (0.33) ALDH1A1L3MBTL1HCRTR1HCRTR2DPP4
SCHEMBL29900533 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1CASP3SENP8SENP7
SCHEMBL360266 0.80 ALDH1A1 (0.40) ALDH1A1L3MBTL1CASP3SENP8SENP7
SCHEMBL28906832 0.79 ALDH1A1 (0.36) ALDH1A1L3MBTL1CASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1856795 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1CASP3SENP8SENP7
Hydrochloric Acid SCHEMBL1856799 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1CASP3SENP8SENP7
SCHEMBL20831662 0.75 GABRA1 (0.37) ALDH1A1L3MBTL1CASP3SENP8SENP7
SCHEMBL4670154 0.75 L3MBTL1 (0.50) ALDH1A1L3MBTL1CASP3SENP8SENP7
SCHEMBL27341970 0.75 ALDH1A1 (0.36) ALDH1A1L3MBTL1CASP3SENP8SENP7

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
EP-4587014-A2 C5AR1 ANTAGONISTS AND USES THEREOF Vanqua Bio, Inc. (US) 2025-07-23 EP disclosed
WO-2024059096-A2 C5AR1 ANTAGONISTS AND USES THEREOF VANQUA BIO, INC. (US) 2024-03-21 WO disclosed