SCHEMBL29337482

SCHEMBL29337482

CC1COc2cc(Br)cnc21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL31034411 1.00 AKR1B1 (0.33) AKR1B1SMN1; SMN2DYRK1AHTTKMT2A
SCHEMBL7921143 0.80 CCR1 (0.31)
SCHEMBL21178473 0.79 NPC1 (0.31) SMN1; SMN2HTTKMT2A
SCHEMBL30001346 0.79 NPC1 (0.31) SMN1; SMN2HTTKMT2A
SCHEMBL21178512 0.79 HTT (0.34) DYRK1AHTTKMT2A
SCHEMBL27198200 0.78 RIPK1 (0.34)
SCHEMBL14305624 0.73 AKR1B1 (0.38) AKR1B1DYRK1A
SCHEMBL31378896 0.72 AKR1B1 (0.42) AKR1B1
SCHEMBL25551298 0.72 RIPK1 (0.48) AKR1B1KMT2A
SCHEMBL25551352 0.72 RIPK1 (0.48) AKR1B1KMT2A

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-2024148191-A1 MODULATORS OF TNF-α ACTIVITY FORWARD THERAPEUTICS, INC. (US) 2024-07-11 WO disclosed