SCHEMBL11530989

SCHEMBL11530989

CCCCC(=O)C(c1ccccc1)(c1ccccc1Cl)n1cncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.35
KCNA3 P22001 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.34
TSHR P16473 2/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
OPRK1 P41145 2/20 0.34
KCNH2 Q12809 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP19A1 P11511 2/20 0.34
SLC22A1 O15245 1/20 0.34
NR1I2 O75469 1/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
TRPM2 O94759 1/20 0.34
ABCB11 O95342 1/20 0.34
EGFR P00533 1/20 0.34

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
SCHEMBL11534036 0.89 LMNA (0.41) LMNATSHRMEN1MAPTKMT2A
SCHEMBL11531132 0.82 CYP19A1 (0.41) KCNN4LMNAKMT2ACYP19A1CYP3A4
SCHEMBL11536527 0.81 LMNA (0.43) LMNAHTTTSHRMEN1MAPT
SCHEMBL11532979 0.81 TSHR (0.44) KCNN4KCNA3LMNAHTTTSHR
SCHEMBL11530600 0.80 LMNA (0.35) LMNAKCNH2MEN1MAPTKMT2A
SCHEMBL11532523 0.80 TSHR (0.43) LMNAHTTTSHRMAPTKMT2A
SCHEMBL11535493 0.76 CYP19A1 (0.41) KCNN4KCNA3LMNAHTTTSHR
SCHEMBL11531767 0.76 LMNA (0.45) LMNATSHROPRK1KCNH2MEN1
SCHEMBL11534291 0.75 TSHR (0.45) LMNAHTTTSHRMAPTKMT2A
SCHEMBL11532469 0.73 LMNA (0.36) LMNAKCNH2MEN1MAPTKMT2A

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