SCHEMBL24202181

SCHEMBL24202181

O=CNCC1CCCCNCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.68
ADH1C P00326 1/20 0.68
ADH1A P07327 1/20 0.68
ADH4 P08319 1/20 0.68
ADH7 P40394 1/20 0.68
ALOX15 P16050 2/20 0.40
TSHR P16473 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
LMNA P02545 1/20 0.36
EPHX1 P07099 4/20 0.33
EPHX2 P34913 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
SLC6A1 P30531 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRB2 P47870 2/20 0.32

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
SCHEMBL3030276 0.90 ADH1B (0.61) ADH1BADH1CADH1AADH4ADH7
SCHEMBL304641 0.84
SCHEMBL8952019 0.82 ADH1A (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL303776 0.82 ADH1A (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5651614 0.82 ADH1A (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8606031 0.82 ADH1A (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1608989 0.82
SCHEMBL3469190 0.79 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2385282 0.79 ADH1B (0.59) ADH1BADH1CADH1AADH4ADH7
SCHEMBL3715748 0.79

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-3939981-A1 FUSED THIAZOLOPYRIMIDINE DERIVATIVES AS MNKS INHIBITORS LifeArc (GB) 2022-01-19 EP disclosed