SCHEMBL21727680

SCHEMBL21727680

Cc1cccc(-c2cccc(C)c2N=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOB P27338 1/20 0.40
HTR7 P34969 2/20 0.39
CNR2 P34972 2/20 0.39
FYN P06241 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
DYRK1B Q9Y463 2/20 0.39
CNR1 P21554 1/20 0.39
CHEK1 O14757 1/20 0.39
MAP4K4 O95819 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39

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
SCHEMBL15550451 0.81 GABRA1 (0.40) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5025375 0.77 HTR7 (0.55) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL11422210 0.75 ACHE (0.46) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL28414965 0.74 ACHE (0.55) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL6933174 0.73 KMT2A (0.48) MAPTALDH1A1POLBTDP1MAPK8
SCHEMBL19577768 0.73 MAPT (0.48) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13483002 0.72 MAOB (0.41) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL24689747 0.72 ACHE (0.52) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30434443 0.72 MAP4K4 (0.49) MAPTNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1862854 0.72 ALDH1A1 (0.50) ALDH1A1CNR2FYNCLK4DYRK1B

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
EP-2496538-B1 HYDROCARBON RECOVERY FROM SULFONES FORMED BY OXIDATIVE DESULFURIZATION PROCESS SAUDI ARABIAN OIL CO (SA) 2020-02-19 EP disclosed