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 — —
SCHEMBL303776 0.82 ADH1A (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5651614 0.82 ADH1A (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8606031 0.82 ADH1A (1.00) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8952019 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
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