SCHEMBL7136184

SCHEMBL7136184

COc1ccc(C=C2C(=O)Nc3c(Br)cc(Br)c(C)c32)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 2/20 0.43
TUBB1 Q9H4B7 4/20 0.42
KDM1A O60341 3/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
EGFR P00533 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38

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
SCHEMBL7133184 0.90 KDM1A (0.52) ERBB2KDM1AKMT2AALDH1A1MAPT
SCHEMBL7132141 0.89 KMT2A (0.53) ERBB2KDM1AKMT2AALDH1A1MAPT
SCHEMBL7133808 0.87 DYRK1A (0.37) KMT2AALDH1A1MAPTRET
SCHEMBL7137722 0.87 KDM1A (0.54) TUBB1KDM1AKMT2AALDH1A1MAPT
SCHEMBL7135307 0.86 ERBB2 (0.57) ERBB2KDM1AKMT2AALDH1A1MAPT
SCHEMBL7138252 0.84 ERBB2 (0.45) ERBB2TUBB1KDM1AKMT2AALDH1A1
SCHEMBL7138706 0.84 IGF1R (0.53) KDM1AKMT2AALDH1A1MAPTMEN1
SCHEMBL7138260 0.82 METAP1 (0.55) KDM1AKMT2AMEN1PIM1PIM2
SCHEMBL7135160 0.82 METAP1 (0.50) KMT2AALDH1A1MAPTMEN1KDM4E
SCHEMBL7137199 0.81 MEN1 (0.58) KDM1AKMT2AALDH1A1MAPTMEN1

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
US-6506763-B2 Useful in prevention and treatment of protein kinase related disorders such as cancer SUGEN, INC. 2003-01-14 US disclosed