SCHEMBL22561348

SCHEMBL22561348

CS(=O)(=O)c1ncc(C#CCCCC(=O)NCI)cn1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ THRB P10828 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
SCHEMBL22618750 0.89 FAAH (0.36) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL22551273 0.87 CYP1A2 (0.32) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL21137867 0.86 CYP1A2 (0.34) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL29263596 0.83 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL25045545 0.83 FFAR1 (0.32) ALDH1A1MAPT
SCHEMBL30674488 0.83 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9
SCHEMBL25045553 0.82 FFAR1 (0.32) ALDH1A1MAPT
SCHEMBL22618814 0.82 FFAR1 (0.32) ALDH1A1MAPT
SCHEMBL22551277 0.82 FFAR1 (0.40) ALDH1A1MAPT
SCHEMBL22618760 0.81 ITGB1 (0.41) ALDH1A1CYP1A2CYP3A4MAPTCYP2C9

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-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 — — EP disclosed
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