SCHEMBL8350109

SCHEMBL8350109

O=C1C[C](c2cccc(C(F)(F)F)c2)CN1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
PARP11 Q9NR21 1/20 0.47
HTR2C P28335 2/20 0.46
NOTUM Q6P988 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
GALR1 P47211 1/20 0.43
MAPT P10636 1/20 0.43
XDH P47989 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
IDO1 P14902 1/20 0.41
RXRA P19793 1/20 0.41
PARP1 P09874 1/20 0.41
PGR P06401 1/20 0.40
KIF11 P52732 1/20 0.40
SCN2A Q99250 1/20 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
SCHEMBL8352439 0.80 TDP2 (0.45) NOTUMGALR1PDCD1CD274PARP1
SCHEMBL1065756 0.74 HTR2C (0.53) PARP10PARP11HTR2CNOTUMASIC3
SCHEMBL8347265 0.74 AXL (0.42) PARP10PARP11NOTUMMAPT
SCHEMBL11218334 0.72 NOTUM (0.45) PARP10PARP11NOTUMASIC3MAPT
SCHEMBL8349987 0.71 ASIC3 (0.64) PARP10PARP11HTR2CMEN1KMT2A
SCHEMBL29678302 0.71 TSHR (0.58) HTR2CNOTUMASIC3IDO1PGR
SCHEMBL1263144 0.71 TSHR (0.58) HTR2CNOTUMASIC3IDO1PGR
SCHEMBL2532289 0.71 HTR2C (0.50) PARP10PARP11HTR2CNOTUMASIC3
SCHEMBL8689815 0.70 HTR2C (0.62) PARP10PARP11HTR2CMEN1KMT2A
SCHEMBL3897160 0.70 SRD5A2 (0.62) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed