SCHEMBL8624249

SCHEMBL8624249

CCCCCCc1ccc(C=Nc2ccccc2C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 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
SCHEMBL6369640 0.82 LMNA (0.54) LMNAALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6420527 0.82 LMNA (0.54) LMNAALDH1A1SMN1; SMN2HPGDL3MBTL1
SCHEMBL6422393 0.81 LMNA (0.58) LMNAALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL22078673 0.80 CYP3A4 (0.43) LMNAHSD17B10ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11034700 0.78 SMN1; SMN2 (0.42) LMNAHSD17B10TSHRALDH1A1SMN1; SMN2
SCHEMBL1879318 0.77 CYP3A4 (0.41) LMNAHSD17B10ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL11746525 0.77 CYP3A4 (0.46) LMNAHSD17B10TSHRALDH1A1SMN1; SMN2
SCHEMBL11746515 0.77 CYP3A4 (0.46) LMNAHSD17B10TSHRALDH1A1SMN1; SMN2
SCHEMBL7769756 0.76 CYP3A4 (0.54) LMNAHSD17B10ALDH1A1CYP3A4L3MBTL1
SCHEMBL1871731 0.76 CYP3A4 (0.54) LMNAHSD17B10ALDH1A1CYP3A4L3MBTL1

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-107406770-A Metallomesogen dyestuff 哥兹有限公司 2017-11-28 CN disclosed
US-5843333-A Metallo organo liquid crystals in a polymer matrix SNIARICERCHE S.C.P.A (IT) 1998-12-01 US disclosed