SCHEMBL31547985

SCHEMBL31547985

Cc1cc(C(F)(F)F)cnc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 1/20 0.47
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 3/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 3/20 0.36
PLAU P00749 1/20 0.36
MAPK1 P28482 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL10354420 0.80 ALDH1A1 (0.39) AGBL2ALDH1A1NPC1RAB9APOLB
SCHEMBL14376004 0.80 POLB (0.38) AGBL2POLBKDM4ETDP1
SCHEMBL11533046 0.80 ALDH1A1 (0.42) AGBL2ALDH1A1NPC1RAB9APOLB
SCHEMBL665344 0.78 ALDH1A1 (0.38) AGBL2ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL29438077 0.78 ALDH1A1 (0.38) AGBL2ALDH1A1POLBHTTSMN1; SMN2
SCHEMBL31018138 0.77 AGBL2 (0.50) AGBL2ALDH1A1MEN1NPC1RAB9A
SCHEMBL2084458 0.77 AGBL2 (0.50) AGBL2ALDH1A1MEN1NPC1RAB9A
SCHEMBL23746896 0.77 ALDH1A1 (0.45) AGBL2ALDH1A1RAB9AKMT2APOLB
SCHEMBL2596379 0.77 ALDH1A1 (0.53) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL18299209 0.77 ALDH1A1 (0.42) AGBL2ALDH1A1MEN1KMT2APOLB

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
WO-2025067343-A1 FUSED RING COMPOUND AND USE THEREOF 纽欧申医药(上海)有限公司 2025-04-03 WO disclosed