SCHEMBL31479640

SCHEMBL31479640

CC1CCC(=O)N1c1cc(F)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PER2 O15055 5/20 0.43
CRY2 Q49AN0 1/20 0.43
PARP1 P09874 1/20 0.40
P2RX7 Q99572 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
RAPGEF3 O95398 2/20 0.38
RAPGEF4 Q8WZA2 2/20 0.38
TSHR P16473 1/20 0.38
SRD5A1 P18405 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR7 P34969 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16480402 0.82 PARP1 (0.46) PER2CRY2PARP1ALDH1A1NPC1
SCHEMBL21314781 0.81 RAPGEF3 (0.39) PER2CRY2PARP1ALDH1A1NPC1
SCHEMBL31479049 0.78 ATM (0.43) PER2CRY2PARP1ALDH1A1NPC1
SCHEMBL16480393 0.74 TDP1 (0.47) PER2CRY2TSHRMAPK1HTR7
SCHEMBL16480422 0.73 ALOX5 (0.46) PER2CRY2ALDH1A1TSHRMEN1
SCHEMBL16480407 0.73 PER2 (0.40) PER2CRY2PARP1SRD5A1SMN1; SMN2
SCHEMBL20528241 0.71 PARP1 (0.39) PER2CRY2PARP1P2RX7HTT
SCHEMBL18191684 0.71 PARP1 (0.39) PER2CRY2PARP1P2RX7HTT
SCHEMBL16480401 0.71 NOTUM (0.54) PARP1SRD5A1KMT2A
SCHEMBL16480455 0.70 PARP1 (0.41) PARP1P2RX7ALDH1A1HTR7MEN1

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-2025067111-A1 MENIN-MLL INTERACTION INHIBITOR AND PREPARATION METHOD THEREFOR, AND APPLICATION 苏州必扬医药科技有限公司 2025-04-03 WO disclosed