SCHEMBL22144264

SCHEMBL22144264

Cc1c[n+](CCC(=O)O)nc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ TSHR P16473 2/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.42
▸ PRNP P04156 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP2D6 P10635 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ PARP2 Q9UGN5 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL29564174 0.72 POLB (0.33) KDM4EPOLBHDAC6PARP1PARP2
SCHEMBL28634474 0.69 HDAC6 (0.46) POLBTSHRRXFP1PRNPMAPK10
Hydrochloric Acid SCHEMBL22345579 0.68 HDAC6 (0.45) POLBTSHRRXFP1PRNPMAPK10
SCHEMBL15079141 0.67 TSHR (0.56) KDM4EPOLBTSHRRXFP1PRNP
SCHEMBL6535305 0.67 KDM4E (0.52) KDM4EPOLBTSHRRXFP1PRNP
SCHEMBL8022993 0.67 KDM4E (0.97) KDM4EPOLBTSHRRXFP1PRNP
Bromide SCHEMBL15056150 0.66 POLB (0.57) KDM4EPOLBTSHRRXFP1PRNP
Bromide SCHEMBL8512189 0.66 KDM4E (1.00) KDM4EPOLBTSHRCYP2D6HSD17B10
Iodide SCHEMBL29210094 0.66 KDM4E (0.94) KDM4EPOLBTSHRRXFP1PRNP
SCHEMBL22345504 0.66 NSD2 (0.36) KDM4EPOLBRXFP1KMT2ASMN1; SMN2

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
WO-2020127168-A1 HERBICIDAL CINNOLINIUM COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2020-06-25 — — WO disclosed
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