SCHEMBL27705342

SCHEMBL27705342

CN1C(=O)SCC1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
ATM Q13315 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
BRD4 O60885 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 1/20 0.41
MITF O75030 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RIPK1 Q13546 4/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SRD5A1 P18405 1/20 0.39
RAB9A P51151 1/20 0.37

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
SCHEMBL27705354 0.85 CHRNA7 (0.41) ALDH1A1CHRNA7KMT2ARIPK1MAOA
SCHEMBL27686415 0.84 CHRNA7 (0.43) ALDH1A1CHRNA7TSHRRIPK1MAOA
SCHEMBL28767174 0.84 CHRNA7 (0.43) CHRNA7BRD4KMT2ATSHR
SCHEMBL27686338 0.82 CHRNA7 (0.47) ALDH1A1CHRNA7TSHRRIPK1MAOA
SCHEMBL27686323 0.82 ACHE (0.41) ALDH1A1KMT2ATSHR
SCHEMBL27686423 0.80 EGFR (0.42) KMT2A
SCHEMBL18827672 0.79 CHRNA7 (0.42) ALDH1A1ATMCHRNB2CHRNB4CHRNA3
SCHEMBL18827650 0.79 CHRNA7 (0.42) ALDH1A1ATMCHRNB2CHRNB4CHRNA3
SCHEMBL11180282 0.79 CHRNA7 (0.42) ALDH1A1ATMCHRNB2CHRNB4CHRNA3
SCHEMBL11400689 0.77 KMT2A (0.40) ALDH1A1ATMCHRNB2CHRNB4CHRNA3

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
CN-101132760-A Agent and method for colouring keratin fibres PROCTER & GAMBLE (US) 2008-02-27 CN claimed
CN-101132760-A Agent and method for colouring keratin fibres PROCTER & GAMBLE (US) 2008-02-27 CN disclosed