SCHEMBL31296433

SCHEMBL31296433

CC#CCC1(CC#CC)c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
RAB9A P51151 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDK2 Q15119 2/20 0.33
KCNQ2 O43526 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL22876041 0.80 L3MBTL1 (0.55) RAB9APOLBL3MBTL1ATMKDM4E
SCHEMBL14727959 0.79 ALDH1A1 (0.41) RAB9APOLBL3MBTL1ATMALDH1A1
SCHEMBL31296444 0.79 ALDH1A1 (0.41) RAB9APOLBL3MBTL1ATMALDH1A1
SCHEMBL21432880 0.75 KMT2A (0.51) APEX1RAB9APOLBL3MBTL1ATM
SCHEMBL15611287 0.74 APEX1 (0.42) APEX1RAB9APOLBL3MBTL1ATM
SCHEMBL29730996 0.74 APEX1 (0.42) APEX1RAB9APOLBL3MBTL1ATM
SCHEMBL29401805 0.74 APEX1 (0.42) APEX1RAB9APOLBL3MBTL1ATM
SCHEMBL22678706 0.71 RAB9A (0.47) RAB9APOLBL3MBTL1ATMKDM4E
SCHEMBL1394829 0.70 APEX1 (0.47) APEX1KDM4EKMT2AMEN1LMNA
SCHEMBL29484836 0.70 APEX1 (0.47) APEX1KDM4EKMT2AMEN1LMNA

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
CN-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed