SCHEMBL21035552

SCHEMBL21035552

Cn1cc(F)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.57
HTR2A P28223 1/20 0.55
ALDH1A1 P00352 4/20 0.53
IMPDH2 P12268 3/20 0.53
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 2/20 0.48
GPR3 P46089 1/20 0.48
NR4A2 P43354 1/20 0.47
IDO1 P14902 1/20 0.47
CCNE2 O96020 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
CCNE1 P24864 1/20 0.47
CDK2 P24941 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.46

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
SCHEMBL29473770 0.76 GPR84 (0.57) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL10395712 0.76 GPR84 (0.57) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL146530 0.76 GPR84 (0.57) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL22791691 0.76 ALDH1A1 (0.42) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL13548601 0.76 KDM4E (0.48) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL13806393 0.74 GPR84 (0.55) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL31123023 0.74 GPR84 (0.55) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL10322780 0.74 GPR84 (0.55) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL646254 0.74 GPR84 (0.55) GPR84HTR2AALDH1A1IMPDH2HTT
SCHEMBL1891947 0.74 GPR84 (0.55) GPR84HTR2AALDH1A1IMPDH2HTT

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
EP-3107902-B1 COMPOUNDS AND METHODS FOR INHIBITING FASCIN CORNELL UNIV CORNELL CENTER FOR TECHNOLOGY ENTERPRISE & COMMERCIALIZATION CCTEC (US) 2021-04-07 EP disclosed
WO-2019104067-A1 CO-THERAPIES INCLUDING A METASTASIS INHIBITOR CORNELL UNIVERSITY (US) 2019-05-31 WO disclosed
CN-106397377-A Electron-rich five-membered heterocyclic acid and method for decarboxylation and fluorination of derivative thereof 中南大学 2017-02-15 CN disclosed