SCHEMBL9017035

SCHEMBL9017035

O=C(n1ccc2ccccc21)C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.43
TFPI2 P48307 1/20 0.42
NPY4R P50391 1/20 0.42
GAA P10253 1/20 0.42
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
LMNA P02545 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CDK4 P11802 3/20 0.38
CCND1 P24385 3/20 0.38

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
Trifluoroacetic Acid SCHEMBL28849397 0.82 TSHR (0.57) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL28393552 0.81 NOTUM (0.65) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL8429842 0.81 NOTUM (0.59) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL28750512 0.80 NOTUM (0.62) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL28471307 0.79 NOTUM (0.66) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL28849396 0.78 NOTUM (0.51) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL1151123 0.78 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL10477477 0.78 NOTUM (0.70) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL931955 0.76 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1KMT2A
SCHEMBL29453277 0.76 TSHR (0.69) NOTUMTSHRRAB9AL3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113727971-A Compound, acid generator, composition, cured product, pattern, and method for producing cured product and pattern 株式会社艾迪科 2021-11-30 CN disclosed
WO-2021049489-A1 COMPOUND, ACID-GENERATING AGENT, COMPOSITION, CURED PRODUCT, PATTERN, AND METHODS FOR PRODUCING CURED PRODUCT AND PATTERN 株式会社ADEKA 2021-03-18 WO disclosed
EP-0697172-A1 Indoles as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1996-02-21 EP disclosed
US-4598156-A Process for producing indoles unsubstituted in the 2,3-position and N(3-chloropropionyl)indole produced thereby CIBA GEIGY CORPORATION (US) 1986-07-01 US disclosed