SCHEMBL8501838

SCHEMBL8501838

Cc1ccc([N+]#N)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 5/20 0.34
TSHR P16473 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.30

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
Hydrochloric Acid SCHEMBL8501661 0.98 ALDH1A1 (0.36) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL11748723 0.78 ALDH1A1 (0.40) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL12383641 0.77 ALDH1A1 (0.37) ALDH1A1HPGDTSHRNPC1RAB9A
SCHEMBL31727453 0.73 HDAC1 (0.37) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL14733276 0.73 ALOX15 (0.50) HPGD
SCHEMBL15357893 0.72 GABRA1 (0.33)
SCHEMBL23529793 0.71 HTT (0.35) ALDH1A1
SCHEMBL31619918 0.71 HTT (0.35) ALDH1A1
SCHEMBL10949575 0.70 LMNA (0.31)
SCHEMBL10951699 0.70 ALDH1A1 (0.31) ALDH1A1HPGDPOLBL3MBTL1

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
EP-0599270-B1 Method of detecting phosphatase AISIN SEIKI (JP) 1999-05-12 EP claimed