SCHEMBL9018905

SCHEMBL9018905

O=C(c1ccccc1Cc1ccc(F)cc1)c1ccccc1Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
MAPT P10636 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
NFKB1 P19838 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL4872353 0.87 TSHR (0.72) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL1500536 0.86 TSHR (0.51) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL1247034 0.84 TSHR (0.61) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL6413351 0.83 GAA (0.54) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL10727676 0.81 TSHR (0.54) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL11464001 0.81 TSHR (0.54) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL3880496 0.81 TSHR (0.54) TSHRALDH1A1CYP1A2CYP2C19MAPT
SCHEMBL9018836 0.81 HSP90AA1 (0.43) MAPTHIF1AHSP90AA1HTTSMN1; SMN2
SCHEMBL28291431 0.81 CA2 (0.62) TSHRCA1CA2CA9LMNA
SCHEMBL5188628 0.80 HTR2A (0.46) ALDH1A1HSP90AA1

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