SCHEMBL9655946

SCHEMBL9655946

C=CN(C=C)C1(N(C=C)C=C)C=CC(C(=O)c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
AKT1 P31749 1/20 0.34
HPGD P15428 3/20 0.33
LMNA P02545 1/20 0.33
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SRD5A2 P31213 1/20 0.32
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGDS O60760 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AKR1C3 P42330 1/20 0.30
CATSPER1 Q8NEC5 1/20 0.30

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
SCHEMBL3725077 0.83 ALDH1A1 (0.36) ALDH1A1AKT1HPGDLMNAMEN1
SCHEMBL157514 0.82 HPGD (0.41) ALDH1A1HPGDATMTDP1L3MBTL1
SCHEMBL9652814 0.80 ALDH1A1 (0.37) ALDH1A1HPGDLMNAATMTDP1
SCHEMBL156387 0.78 ALDH1A1 (0.41) ALDH1A1HPGDLMNAPLA2G1BATG4B
SCHEMBL9652775 0.78 ALDH1A1 (0.35) ALDH1A1HPGDATMTDP1L3MBTL1
SCHEMBL28267843 0.77 ALDH1A1 (0.37) ALDH1A1AKT1HPGDLMNAATM
SCHEMBL305025 0.77 ALDH1A1 (0.40) ALDH1A1HPGDLMNAPLA2G1BATG4B
Benzophenone SCHEMBL9776685 0.77 ALDH1A1 (0.43) ALDH1A1HPGDLMNAATMTDP1
SCHEMBL28269430 0.76 ALDH1A1 (0.36) ALDH1A1AKT1HPGDLMNAATM
SCHEMBL8639915 0.76 ALDH1A1 (0.39) ALDH1A1HPGDLMNAPLA2G1BATG4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155161-A Living polymer modified by lactam, urea, amino ketone or aldehyde or thio analogs, followed by hydrolysis NIPPON ZEON CO., LTD. (JP) 1992-10-13 US disclosed
EP-0438248-A2 Preparation process of toner NIPPON ZEON CO., LTD. (JP) 1991-07-24 EP disclosed