SCHEMBL7077658

SCHEMBL7077658

CCO/N=C/c1c(Cl)ccc(C(=O)c2cnn(CC)c2O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 4/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 3/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 2/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 2/20 0.30
HPGD P15428 1/20 0.30
NPC1 O15118 2/20 0.30
JAK2 O60674 1/20 0.30
S1PR2 O95136 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7077661 1.00 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
Ethanesulfonic Acid Amide SCHEMBL3436960 0.76 ALDH1A1 (0.37) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL8175837 0.76 TSHR (0.37) SMN1; SMN2KMT2AALDH1A1TSHRLMNA
SCHEMBL7080277 0.76 TSHR (0.37) SMN1; SMN2KMT2AALDH1A1TSHRLMNA
SCHEMBL9076246 0.75 SMN1; SMN2 (0.38) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL4245180 0.75 RAB9A (0.38) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL9076935 0.75 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL6584802 0.75 RAB9A (0.33) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL3436915 0.73 RAB9A (0.36) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR
SCHEMBL27524777 0.72 LMNA (0.44) SMN1; SMN2RAB9AKMT2AALDH1A1TSHR

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
EP-0960100-B1 SUBSTITUTED 4-BENZOYL-PYRAZOLES BASF AG (DE) 2003-07-09 EP disclosed
US-6028035-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed