SCHEMBL23716215

SCHEMBL23716215

Cc1ccc(Cc2ccc(Cl)cn2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.37
DAO P14920 1/20 0.37
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
KCNE1 P15382 2/20 0.35
KCNQ1 P51787 2/20 0.35
KCNQ5 Q9NR82 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 4/20 0.34
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
RAB9A P51151 1/20 0.33
FYN P06241 1/20 0.33
OPRD1 P41143 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL23716265 0.89 RXRA (0.39) MBOAT4DAOMCHR1RXRAGRIN1
SCHEMBL17664100 0.87 FYN (0.41) MBOAT4DAOFYNHSP90AB1KDM4E
SCHEMBL17664001 0.84 GPR52 (0.35) MBOAT4DAOKCNQ3KCNQ2KCNE1
SCHEMBL23716203 0.84 MBOAT4 (0.39) MBOAT4LMNAMCHR1RAB9AHSP90AB1
SCHEMBL17664358 0.83 HDAC3 (0.41) DAOHSP90AB1KCNH2CYP3A4HTR2A
SCHEMBL17663975 0.77 RAB9A (0.48) MBOAT4LMNATP53POLBRAB9A
SCHEMBL17663971 0.76 HSP90AB1 (0.47) MBOAT4HSP90AB1KDM4EHTR2C
SCHEMBL17664040 0.76 NPC1 (0.37) DAOKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL17663857 0.76 IDO1 (0.42) TP53POLBHSP90AB1CYP3A4CYP2C19
SCHEMBL17664105 0.74 MEN1 (0.40) MBOAT4LMNAPOLBRAB9AKDM4E

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
EP-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 EP disclosed