SCHEMBL27587384

SCHEMBL27587384

CC1=C([Cr]Cl)c2ccccc2C1c1cccc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.39
CCR1 P32246 4/20 0.39
CCR8 P51685 4/20 0.39
CCR5 P51681 3/20 0.39
TSHR P16473 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
MMP2 P08253 2/20 0.39
ALOX15 P16050 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39
NFKB1 P19838 1/20 0.39
MMP8 P22894 1/20 0.39

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
Hydrochloric Acid SCHEMBL1071469 0.81 SMN1; SMN2 (0.43) LMNACCR1CCR8CCR5TSHR
SCHEMBL6131342 0.79 CCR1 (0.39) LMNACCR1CCR8CCR5TSHR
SCHEMBL28517555 0.78 KDM4E (0.54) LMNACCR1CCR8CCR5TSHR
Hydrochloric Acid SCHEMBL1070025 0.72 LMNA (0.40) LMNACCR1CCR8CCR5TSHR
Hydrochloric Acid SCHEMBL1072267 0.69 CCR1 (0.40) LMNACCR1CCR8CCR5TSHR
Hydrochloric Acid SCHEMBL1071824 0.69 MAPT (0.40) LMNACCR1CCR8CCR5TSHR
SCHEMBL6131362 0.68 LMNA (0.42) LMNACCR1CCR8CCR5TSHR
Hydrochloric Acid SCHEMBL819577 0.68 KDM4E (0.41) LMNACCR1CCR8CCR5TSHR
Hydrochloric Acid SCHEMBL1069659 0.67 CCR1 (0.40) LMNACCR1CCR8CCR5TSHR
Hydrochloric Acid SCHEMBL5009057 0.65 P2RX7 (0.40) LMNACCR1CCR8CCR5TSHR

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
CN-100354287-C Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with donor bridge BASSEL POLYOLEFIN AG (DE) 2007-12-12 CN disclosed
CN-1399640-A Monocyclopentadienyl complexes of chromium, molybdenum or tungsten with donor bridge BASSEL POLYOLEFIN AG (DE) 2003-02-26 CN disclosed