SCHEMBL21782065

SCHEMBL21782065

CC1CCC(NCCC#N)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
JAK1 P23458 4/20 0.36
JAK2 O60674 3/20 0.36
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
EPHX1 P07099 1/20 0.31
DPP4 P27487 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
SCHEMBL15014481 1.00 ALDH1A1 (0.38) ALDH1A1JAK1JAK2TYK2JAK3
SCHEMBL1190555 0.89
SCHEMBL5831087 0.89 JAK1 (0.39) ALDH1A1JAK1JAK2TYK2JAK3
SCHEMBL12424641 0.88 TSHR (0.38) ALDH1A1JAK1JAK2TYK2JAK3
SCHEMBL23889394 0.85 TSHR (0.36) JAK1JAK2TYK2JAK3TSHR
SCHEMBL21781847 0.83 JAK1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL21089261 0.83 JAK1 (0.36) ALDH1A1JAK1JAK2TYK2JAK3
SCHEMBL23889536 0.82 JAK2 (0.30) JAK1JAK2
SCHEMBL12424474 0.81 THRB (0.31)
SCHEMBL2751529 0.80 SMN1; SMN2 (0.39) JAK1JAK2KDM4EDPP4

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed