SCHEMBL29915724

SCHEMBL29915724

Cc1c[n+](C)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHAT P28329 3/20 0.55
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC8 Q9BY41 7/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 1/20 0.32
ERN1 O75460 1/20 0.31

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
SCHEMBL1426676 1.00 CHAT (0.55) CHATALDH1A1TSHRRAB9AKDM4E
SCHEMBL4829147 0.82 CHAT (0.44) CHATALDH1A1TSHRRAB9AKDM4E
Formic Acid SCHEMBL31017192 0.72 CHAT (0.35) CHAT
SCHEMBL5297606 0.71
Water SCHEMBL10815229 0.69 CHAT (0.44) CHATHDAC8
Iodide SCHEMBL3857270 0.69 CHAT (0.44) CHATRAB9AKDM4EAPOBEC3AAPOBEC3G
SCHEMBL19607346 0.69 CHAT (0.44) CHATHDAC8
SCHEMBL11964506 0.68 CHAT (0.35) CHATALDH1A1TSHRKDM4EAPOBEC3A
SCHEMBL31251464 0.67 CHAT (0.50) CHATALDH1A1TSHRMEN1LMNA
SCHEMBL14419209 0.67 CHAT (0.43) CHATHDAC8

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-114746069-A Three-step multi-tone hair dyeing method 汉高股份有限及两合公司 2022-07-12 CN disclosed