SCHEMBL29008018

SCHEMBL29008018

CCOC(=O)C1=CNc2ccccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
BRD4 O60885 1/20 0.43
GAA P10253 3/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
ALDH1A1 P00352 4/20 0.40

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 SCHEMBL29008069 0.99 TSHR (0.44) TSHRBRD4GAAGABRPGABRD
SCHEMBL30585963 0.79 BRD4 (0.42) TSHRBRD4GABRPGABRDGABRA1
SCHEMBL6026672 0.78 ATM (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL218818 0.76 MAPT (0.43) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL30298128 0.76 MAPT (0.43) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL10731063 0.76 RAB9A (0.40) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL715560 0.74 AHR (0.40) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL19438432 0.74 AHR (0.40) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL29576628 0.74 AHR (0.40) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL3567927 0.74 TSHR (0.49) TSHRGAAGABRPGABRDGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116157392-A Compounds targeting RNA binding proteins or RNA modification proteins 雷多纳治疗公司 2023-05-23 CN disclosed