SCHEMBL2237175

SCHEMBL2237175

NC(I)C(I)(I)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.42
DPP4 P27487 2/20 0.36
TSHR P16473 2/20 0.36
F2 P00734 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KIF11 P52732 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL9079646 0.70 CYP1A2 (0.40) KCNN4LMNAMAPK1KIF11CYP1A2
SCHEMBL2261820 0.66 KCNN4 (0.47) KCNN4TSHRALDH1A1MAPK1TAAR1
SCHEMBL874140 0.66 KCNN4 (0.47) KCNN4TSHRALDH1A1MAPK1TAAR1
SCHEMBL1315561 0.66 KCNN4 (0.47) KCNN4TSHRALDH1A1MAPK1TAAR1
SCHEMBL8655686 0.65 CYP2D6 (0.42) KCNN4ALDH1A1KDM4ELMNAMAPK1
SCHEMBL11772011 0.65 KCNN4 (0.48) KCNN4DPP4TSHRF2ALDH1A1
Phosphine SCHEMBL114295 0.64 KCNN4 (0.45) KCNN4TSHRALDH1A1MAPK1TAAR1
SCHEMBL2549759 0.64 KCNN4 (0.45) KCNN4TSHRALDH1A1MAPK1TAAR1
SCHEMBL9073584 0.64 TSHR (0.61) KCNN4TSHRALDH1A1MAPK1TAAR1
SCHEMBL29161115 0.64 KCNN4 (0.45) KCNN4TSHRALDH1A1MAPK1TAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110206775-A1 Preparation of inert pharmaceutical excipients for stabilizing unstable pharmaceutical ingredients GROENEWOUD PIETER J 2011-08-25 US claimed
US-20110206775-A1 Preparation of inert pharmaceutical excipients for stabilizing unstable pharmaceutical ingredients GROENEWOUD PIETER J 2011-08-25 US disclosed