SCHEMBL9018807

SCHEMBL9018807

N#Cc1ccc(Cc2ccccc2C(=O)c2ccccc2Cc2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
SAE1 Q9UBE0 1/20 0.49
UBA2 Q9UBT2 1/20 0.49
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
HTT P42858 3/20 0.41

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
SCHEMBL6804935 0.87 TSHR (0.47) TSHRSAE1UBA2MAPTALDH1A1
SCHEMBL1247034 0.80 TSHR (0.61) TSHRMAPTALDH1A1NPSR1CYP1A2
SCHEMBL13714153 0.79 VNN1 (0.54) TSHRHTTLMNAMEN1KMT2A
SCHEMBL9018905 0.77 TSHR (0.54) TSHRMAPTALDH1A1NPSR1CYP1A2
SCHEMBL10727676 0.77 TSHR (0.54) TSHRMAPTALDH1A1NPSR1CYP1A2
SCHEMBL11464001 0.77 TSHR (0.54) TSHRMAPTALDH1A1NPSR1CYP1A2
SCHEMBL3880496 0.77 TSHR (0.54) TSHRMAPTALDH1A1NPSR1CYP1A2
SCHEMBL2585010 0.77 KEAP1 (0.63) TSHRSAE1UBA2MAPTCYP3A4
SCHEMBL8691983 0.77 TSHR (0.48) TSHRSAE1UBA2ALDH1A1LOXL2
SCHEMBL6164527 0.75 PARP1 (0.47) SAE1UBA2MAPTALDH1A1CYP11B1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543573-A INSECTICIDES NIHON NOHYAKU CO., LTD. (JP) 1996-08-06 US disclosed
EP-0462456-B1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO LTD (JP) 1996-05-08 EP disclosed
EP-0462456-A1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1991-12-27 EP disclosed