SCHEMBL11533723

SCHEMBL11533723

O=C(c1ccccc1)C(c1ccccc1)(c1ccc(-c2ccc(Cl)cc2)cc1)n1cncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
PDE4B Q07343 1/20 0.37
CTRC Q99895 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 2/20 0.36
GAA P10253 1/20 0.36
KLK7 P49862 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KLK14 Q9P0G3 1/20 0.36
KLK5 Q9Y337 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
ATM Q13315 1/20 0.36
CYP27B1 O15528 2/20 0.36
CYP24A1 Q07973 2/20 0.36

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
SCHEMBL11531949 0.96 SMN1; SMN2 (0.43) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11531901 0.96 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11531685 0.95 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11532826 0.94 SMN1; SMN2 (0.46) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11530465 0.92 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1MAPTHPGD
SCHEMBL11531469 0.92 SMN1; SMN2 (0.47) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11534709 0.90 TSHR (0.47) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11533030 0.89 KMT2A (0.47) SMN1; SMN2TSHRLMNAALDH1A1KMT2A
SCHEMBL11533163 0.89 TSHR (0.42) SMN1; SMN2TSHRLMNAALDH1A1MAPT
SCHEMBL11534227 0.88 LMNA (0.47) SMN1; SMN2LMNAALDH1A1MAPTGAA

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-4140782-A Combating fungi and nematodes with diphenyl-triazolyl-methanes BAYER AKTIENGESELLSCHAFT (DE) 1979-02-20 US disclosed