SCHEMBL11825152

SCHEMBL11825152

COc1cc(N(C)c2ccccc2)ccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
SLC16A3 O15427 2/20 0.46
SLC16A1 P53985 2/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
CYP1A2 P05177 3/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FGFR1 P11362 1/20 0.43
CSF1R P07333 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL154497 0.82 ALDH1A1 (0.68) ALDH1A1L3MBTL1NPC1RAB9APOLB
SCHEMBL4859689 0.80 CSF1R (0.49) ALDH1A1L3MBTL1NPC1RAB9ATDP1
SCHEMBL11443303 0.78 TRIM24 (0.46) ALDH1A1L3MBTL1NPC1RAB9AMEN1
SCHEMBL13681448 0.77 CSF1R (0.43) ALDH1A1NPC1RAB9ATDP1MEN1
Salicyladehyde SCHEMBL5234493 0.77 ALDH1A1 (0.54) ALDH1A1L3MBTL1NPC1RAB9APOLB
SCHEMBL8261972 0.76 HTR1A (0.43) ALDH1A1NPC1RAB9ATDP1MEN1
SCHEMBL2950989 0.74 ALDH1A1 (1.00) ALDH1A1L3MBTL1NPC1RAB9APOLB
SCHEMBL14941561 0.74 ALDH1A1 (0.62) ALDH1A1L3MBTL1NPC1RAB9APOLB
SCHEMBL24254467 0.74 HSP90AA1 (0.48) ALDH1A1L3MBTL1NPC1RAB9APOLB
SCHEMBL11296596 0.74 TYR (0.66) ALDH1A1L3MBTL1MAPTCYP1A2LMNA

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
US-3985763-A DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-10-12 US disclosed