SCHEMBL4642647

SCHEMBL4642647

CNN(Br)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 3/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KCNN4 O15554 1/20 0.33
ALOX15 P16050 1/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
GLA P06280 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL11810371 0.74 TSHR (0.36) L3MBTL1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL9699580 0.72 KMT2A (0.52) L3MBTL1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL609177 0.72 L3MBTL1 (0.43) L3MBTL1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL677668 0.70 LMNA (0.46) L3MBTL1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4442328 0.69
SCHEMBL28117845 0.69 ALDH1A1 (0.39) MEN1KMT2AHTTALDH1A1NPSR1
SCHEMBL27665984 0.68 L3MBTL1 (0.40) L3MBTL1LMNAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4552761 0.68 LMNA (0.45) L3MBTL1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL11637039 0.67 ALDH1A1 (0.41) L3MBTL1MEN1KMT2ATSHRHTT
SCHEMBL724771 0.67

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-1663204-A4 C-KIT MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2008-08-13 EP disclosed
EP-1663204-A2 C-KIT MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2006-06-07 EP disclosed
WO-2005020921-A2 C-KIT MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-03-10 WO disclosed