SCHEMBL28665437

SCHEMBL28665437

Cc1nc2[nH]c3ccccc3c2cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.47
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
APOBEC3G Q9HC16 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
KIF11 P52732 2/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
GABRA1 P14867 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL12694677 0.83 CA5A (0.50) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL29883573 0.78 CA5A (0.60) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL29625219 0.73 CA5A (0.56) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL3824313 0.73 CA5A (0.56) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL29405466 0.73 CA5A (0.56) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL20079490 0.72 KDM4E (0.54) ALDH1A1LMNAHPGDKDM4EHTT
SCHEMBL676055 0.72 CA5A (0.62) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL25694430 0.72 CA5A (0.62) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL2422471 0.70 POLB (0.58) CA5AALDH1A1LMNAHPGDKDM4E
SCHEMBL15318812 0.69 CHEK1 (0.54) CA5AALDH1A1LMNAAPOBEC3GKDM4E

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-108276403-B Method for synthesizing carbopol compounds 贵州医科大学 2021-07-20 CN disclosed