SCHEMBL25936862

SCHEMBL25936862

Cc1ccccc1-c1ccccc1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.41
ALDH1A1 P00352 1/20 0.38
NPY5R Q15761 2/20 0.37
TYMS P04818 1/20 0.36
HTR7 P34969 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACLY P53396 1/20 0.34
BRD4 O60885 1/20 0.34
SLC6A9 P48067 1/20 0.34
DNM1 Q05193 1/20 0.34
NR4A2 P43354 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 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
SCHEMBL25943947 0.91 TSPO (0.44) TSPOALDH1A1NPY5RKDM4EATM
SCHEMBL26480976 0.91 TSPO (0.44) TSPOALDH1A1NPY5RKDM4EATM
SCHEMBL18561900 0.91 TSPO (0.44) TSPOALDH1A1NPY5RKDM4EATM
SCHEMBL26480977 0.91 TSPO (0.44) TSPOALDH1A1NPY5RKDM4EATM
SCHEMBL21037653 0.88 TSPO (0.45) TSPOALDH1A1NPY5RKDM4EATM
SCHEMBL24669178 0.87 TSPO (0.41) TSPOALDH1A1NPY5RKDM4EATM
SCHEMBL22876426 0.87 ATM (0.44) TSPOALDH1A1NPY5RHTR7KDM4E
SCHEMBL22876298 0.87 ATM (0.44) TSPOALDH1A1NPY5RHTR7KDM4E
SCHEMBL25671847 0.87 ATM (0.44) TSPOALDH1A1NPY5RHTR7KDM4E
SCHEMBL25693003 0.87 MEN1 (0.39) TSPOALDH1A1ATML3MBTL1NR4A2

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-2023142486-A1 BORON-NITROGEN COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 季华恒烨(佛山)电子材料有限公司 2023-08-03 WO disclosed