SCHEMBL11348793

SCHEMBL11348793

CC(=O)C(C)(C)Cc1cccnc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
POLB P06746 3/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 2/20 0.36
P2RX7 Q99572 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19187750 0.77 LMNA (0.37) SMN1; SMN2LMNACASP3SENP8SENP7
SCHEMBL9208767 0.76 RAB9A (0.46) SMN1; SMN2LMNAPOLBALDH1A1CYP1A2
SCHEMBL3110927 0.76 SMN1; SMN2 (0.47) SMN1; SMN2LMNACASP3SENP8SENP7
SCHEMBL27773929 0.76 CASP3 (0.40) SMN1; SMN2LMNACASP3SENP8SENP7
SCHEMBL11348757 0.75 SMN1; SMN2 (0.43) SMN1; SMN2LMNACASP3SENP8SENP7
SCHEMBL20565261 0.75 POLB (0.47) SMN1; SMN2LMNACASP3SENP8SENP7
SCHEMBL805420 0.73
SCHEMBL1805165 0.72 L3MBTL1 (0.57) SMN1; SMN2LMNACASP3SENP8SENP7
SCHEMBL7887713 0.71 CYP1A2 (0.53) SMN1; SMN2LMNATDP1ALDH1A1CYP1A2
SCHEMBL1843260 0.71 LMNA (0.42) SMN1; SMN2LMNACASP3SENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984082-A1 NOVEL TRIAZOLE DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2016-02-17 EP disclosed
WO-2014167010-A1 NOVEL TRIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-10-16 WO disclosed
EP-0002678-B1 AZOLYLALKYL-PYRIDINYL ETHERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES BAYER AG (DE) 1981-12-30 EP disclosed