SCHEMBL30320472

SCHEMBL30320472

FC(F)Oc1cccnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
TRPV4 Q9HBA0 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
GRM4 Q14833 1/20 0.38
DRD1 P21728 1/20 0.38
LRRK2 Q5S007 1/20 0.38
RXRA P19793 4/20 0.37
GRIN1 Q05586 4/20 0.37
GRIN2B Q13224 4/20 0.37
ADRA1A P35348 1/20 0.36
MET P08581 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL189015 1.00 LMNA (0.47) LMNATRPV4SMN1; SMN2NPC1MAPT
SCHEMBL16904329 0.85 CHRNB2 (0.40) LMNATRPV4SMN1; SMN2NPC1CHRNB2
SCHEMBL3513772 0.80 MEN1 (0.46) LMNASMN1; SMN2CHRNB2CHRNA4DRD1
SCHEMBL30454073 0.80 MEN1 (0.46) LMNASMN1; SMN2CHRNB2CHRNA4DRD1
SCHEMBL29781487 0.78 TRPV4 (0.42) LMNATRPV4SMN1; SMN2NPC1MAPT
SCHEMBL21801532 0.78 TRPV4 (0.42) LMNATRPV4SMN1; SMN2NPC1MAPT
SCHEMBL14862285 0.77 CHRNB2 (0.43) LMNASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1536481 0.77 LMNA (0.45) LMNATRPV4SMN1; SMN2NPC1MAPT
SCHEMBL16586557 0.76 LMNA (0.43) LMNASMN1; SMN2NPC1MAPTRAB9A
SCHEMBL189173 0.76 TRPV4 (0.41) LMNATRPV4SMN1; SMN2NPC1MAPT

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
CN-117157291-A Heterocyclic derivatives as P2X7 receptor antagonists 布雷耶疗法有限公司 2023-12-01 CN disclosed
WO-2023122093-A1 REV-ERB AGONISTS FOR TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-06-29 WO disclosed
EP-4161494-A1 NITROGEN-CONTAINING FUSED BICYCLIC COMPOUNDS AND THEIR USE AS UBIQUITIN-SPECIFIC-PROCESSING PROTEASE 1 (USP1) INHIBITORS KSQ Therapeutics, Inc. (US) 2023-04-12 EP disclosed