SCHEMBL7712019

SCHEMBL7712019

N#CC1C(=O)NC(=O)C(C#N)C1(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
CACNA1F O60840 2/20 0.37
CACNA1D Q01668 2/20 0.37
CACNA1S Q13698 2/20 0.37
CACNA1C Q13936 2/20 0.37
CACNB4 O00305 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNG3 O60359 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNB3 P54284 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNG7 P62955 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNB1 Q02641 1/20 0.37
CACNG1 Q06432 1/20 0.37

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
SCHEMBL7711516 0.81 MMP2 (0.39) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL7712022 0.78 LMNA (0.34) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL7711689 0.78 ALDH1A1 (0.37) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL7713916 0.78 LMNA (0.40) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL745367 0.78 KDM4E (0.37) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL7711675 0.78 ALDH1A1 (0.34) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL7711500 0.78 LMNA (0.37) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL10469654 0.76 ALDH1A1 (0.36) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL10469653 0.76 ALDH1A1 (0.36) ALDH1A1LMNAGAAHPGDTSHR
SCHEMBL7708682 0.75 MMP2 (0.36) ALDH1A1LMNAGAAHPGDTSHR

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
US-6365311-B1 THERMAL STABILITY; LOW COLOR; ABSENCE OF ENVIRONMENTALLY UNDESIRABLE TOXIC METALS; POLYETHERIFIED BISPHENOL A FUMARATE BINDER; POLYSILOXANE COATED STRONTIUM FERRITE CARRIER EASTMAN KODAK COMPANY 2002-04-02 US disclosed