SCHEMBL28117905

SCHEMBL28117905

OB(O)c1ccccc1Cl.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
ENPP2 Q13822 4/20 0.44
ALDH1A1 P00352 2/20 0.42
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LIPE Q05469 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL29404220 0.97 TSHR (0.47) TSHRLMNAENPP2ALDH1A1ORAI1
SCHEMBL4129 0.97 TSHR (0.47) TSHRLMNAENPP2ALDH1A1ORAI1
Benzene SCHEMBL28042388 0.95 LMNA (0.45) TSHRLMNAENPP2ALDH1A1ORAI1
SCHEMBL31125058 0.86 ENPP2 (0.39) TSHRLMNAENPP2ALDH1A1ORAI1
SCHEMBL14217841 0.82 TSHR (0.43) TSHRLMNAENPP2ALDH1A1ORAI1
SCHEMBL20953849 0.81 ENPP2 (0.40) TSHRLMNAENPP2ORAI1ORAI2
SCHEMBL28066888 0.80 SMN1; SMN2 (0.42) LMNAENPP2ALDH1A1MAPT
SCHEMBL22703498 0.78 CYP2A6 (0.44) TSHRLMNAENPP2ALDH1A1
SCHEMBL16104430 0.78 ENPP2 (0.45) TSHRLMNAENPP2ALDH1A1ORAI1
SCHEMBL4991 0.77 TSHR (0.48) TSHRLMNAENPP2ALDH1A1

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-106318386-A Preparation method of boron-chlorine doped carbon quantum dots 常州大学 2017-01-11 CN disclosed