SCHEMBL3992240

SCHEMBL3992240

Cc1ccc2c(C(=O)c3cc(Cl)ncn3)cn(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MITF O75030 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.33
KDR P35968 1/20 0.33
CDK2 P24941 1/20 0.33
IMPDH2 P12268 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
SPR P35270 1/20 0.33
NR4A2 P43354 1/20 0.33
SCN9A Q15858 1/20 0.32
HTT P42858 1/20 0.32
NTRK1 P04629 1/20 0.32

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
SCHEMBL3996013 0.90 KDR (0.41) POLBMITFALDH1A1LMNAMAPT
SCHEMBL3992947 0.90 POLB (0.38) POLBMITFALDH1A1LMNAMAPT
SCHEMBL3978572 0.88 PCSK9 (0.40) POLBMITFALDH1A1LMNAMAPT
SCHEMBL3997478 0.88 POLB (0.36) POLBMITFALDH1A1LMNAMAPT
SCHEMBL3972624 0.86 POLB (0.55) POLBMITFALDH1A1LMNAMAPT
SCHEMBL3995936 0.86 ALDH1A1 (0.44) POLBALDH1A1CNR2KDM4CSCN9A
SCHEMBL4293828 0.86 CNR1 (0.36) POLBMAPTKMT2ACNR1CNR2
SCHEMBL3990286 0.85 SCN9A (0.40) POLBCNR1CNR2SCN9AHTT
SCHEMBL3990318 0.82 NR4A2 (0.35) POLBALDH1A1LMNAMAPTKMT2A
SCHEMBL3973248 0.81 KDM4E (0.42) POLBALDH1A1CNR1CNR2KDR

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
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed
EP-2065382-A1 CGRP antagonists Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-06-03 EP disclosed