SCHEMBL9725330

SCHEMBL9725330

Brc1ccc(-c2ccc(Br)cc2-n2cnc3ccccc32)c(-n2cnc3ccccc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
FGFR1 P11362 5/20 0.49
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MEN1 O00255 2/20 0.43

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
SCHEMBL28775024 0.89 HTT (0.56) HTTFGFR1POLBALDH1A1TUBB4A
SCHEMBL27238830 0.84 HTT (0.47) HTTFGFR1POLBALDH1A1TUBB4A
SCHEMBL30846080 0.84 HTT (0.47) HTTFGFR1POLBALDH1A1TUBB4A
SCHEMBL23266636 0.79 HTT (0.60) HTTFGFR1POLBALDH1A1
SCHEMBL366895 0.78 HTT (0.47) HTTFGFR1POLBALDH1A1TUBB4A
SCHEMBL9725331 0.77 HTT (0.46) HTTFGFR1POLBALDH1A1MEN1
SCHEMBL3417306 0.77 HTT (0.73) HTTFGFR1POLBALDH1A1
SCHEMBL5937 0.76 HTT (0.56) HTTFGFR1POLBALDH1A1NPC1
SCHEMBL3496264 0.76 HTT (0.72) HTTFGFR1ALDH1A1KMT2AMAPT
SCHEMBL29898298 0.76 HTT (0.56) HTTFGFR1POLBALDH1A1NPC1

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
US-5081256-A Para ordered aromatic diacids containing benzimidazole groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-01-14 US disclosed
US-5081256-A Para ordered aromatic diacids containing benzimidazole groups UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 1992-01-14 US disclosed