SCHEMBL11086231

SCHEMBL11086231

Cc1cccc(C=C2CCCn3c2nc2cc(N)ccc2c3=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
POLB P06746 2/20 0.49
NME2 P22392 1/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TUBB4A P04350 3/20 0.48
TUBB P07437 3/20 0.48
TUBA3C P0DPH7 3/20 0.48
TUBA1B P68363 3/20 0.48
TUBA4A P68366 3/20 0.48
TUBB4B P68371 3/20 0.48
TUBB3 Q13509 3/20 0.48
TUBB2A Q13885 3/20 0.48
TUBB8 Q3ZCM7 3/20 0.48
TUBA3E Q6PEY2 3/20 0.48
TUBA1A Q71U36 3/20 0.48
TUBA1C Q9BQE3 3/20 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
SCHEMBL11086229 1.00 MEN1 (0.54) MEN1KMT2APOLBNME2HPGD
SCHEMBL11089833 0.94 MEN1 (0.61) MEN1KMT2APOLBHPGDRAB9A
SCHEMBL11089836 0.94 MEN1 (0.61) MEN1KMT2APOLBHPGDRAB9A
SCHEMBL11085732 0.90 MEN1 (0.64) MEN1KMT2APOLBNME2HPGD
SCHEMBL11085731 0.90 MEN1 (0.64) MEN1KMT2APOLBNME2HPGD
SCHEMBL11081819 0.89 POLB (0.57) MEN1KMT2APOLBNME2HPGD
SCHEMBL11081815 0.89 POLB (0.57) MEN1KMT2APOLBNME2HPGD
SCHEMBL11081932 0.89 POLB (0.56) MEN1KMT2APOLBNME2HPGD
SCHEMBL11081930 0.89 POLB (0.56) MEN1KMT2APOLBNME2HPGD
SCHEMBL11087596 0.88 MEN1 (0.53) MEN1KMT2APOLBNME2HPGD

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-4428952-A Substituted pyrrolo[2,1-b]quinazolines and pyrido[2,1-b]quinazolines useful for the treatment of or the prevention of gastrointestinal ulcers FARMITALIA CARLO ERBA S.P.A. (IT) 1984-01-31 US disclosed