SCHEMBL9424898

SCHEMBL9424898

CCC(Br)C(=O)NCc1ccccc1Cl

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.73
NPC1 O15118 2/20 0.58
RAB9A P51151 1/20 0.58
HTT P42858 2/20 0.55
KMT2A Q03164 3/20 0.54
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.50
ANPEP P15144 1/20 0.50
KDM4E B2RXH2 1/20 0.48
RCE1 Q9Y256 1/20 0.48
MEN1 O00255 1/20 0.48
CASR P41180 1/20 0.48

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
SCHEMBL10374358 0.83 LMNA (0.59) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL2913379 0.83 ALDH1A1 (0.75) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL2943082 0.82 ALDH1A1 (0.73) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL27472283 0.82 RIPK1 (0.55) ALDH1A1TSHR
SCHEMBL21435278 0.79 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL9425263 0.78 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL23754579 0.78 KMT2A (0.55) ALDH1A1KMT2AANPEPMEN1
SCHEMBL2936657 0.78 KMT2A (0.55) ALDH1A1KMT2AANPEPMEN1
SCHEMBL2749188 0.77 ALDH1A1 (0.66) ALDH1A1NPC1RAB9AHTTKMT2A
SCHEMBL2910835 0.76 HTT (0.71) ALDH1A1NPC1RAB9AHTTKMT2A

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
US-5314865-A Certain alkylidine aminooxyamide compounds useful as herbicides ICI AMERICAS INC. (US) 1994-05-24 US disclosed
US-5002605-A Herbicides ICI AMERICAS INC. (US) 1991-03-26 US disclosed
US-4753674-A PLANT GROWTH REGULATORS UBE INDUSTRIES, LTD. (JP) 1988-06-28 US disclosed