SCHEMBL11084367

SCHEMBL11084367

N#Cc1ccc2nc3n(c(=O)c2c1)CCC/C3=C\c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.66
▸ TUBB4A P04350 5/20 0.52
▸ TUBB P07437 5/20 0.52
▸ TUBA3C P0DPH7 5/20 0.52
▸ TUBA1B P68363 5/20 0.52
▸ TUBA4A P68366 5/20 0.52
▸ TUBB4B P68371 5/20 0.52
▸ TUBB3 Q13509 5/20 0.52
▸ TUBB2A Q13885 5/20 0.52
▸ TUBB8 Q3ZCM7 5/20 0.52
▸ TUBA3E Q6PEY2 5/20 0.52
▸ TUBA1A Q71U36 5/20 0.52
▸ TUBA1C Q9BQE3 5/20 0.52
▸ TUBB6 Q9BUF5 5/20 0.52
▸ TUBB2B Q9BVA1 5/20 0.52
▸ TUBB1 Q9H4B7 5/20 0.52
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ NPC1 O15118 2/20 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
SCHEMBL11084370 1.00 POLB (0.66) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11081100 0.94 POLB (0.57) POLBNPC1RAB9AALOX5CYP1A2
SCHEMBL11081096 0.94 POLB (0.57) POLBNPC1RAB9AALOX5CYP1A2
SCHEMBL11083394 0.93 POLB (0.73) POLBHPGDKDM4EALDH1A1NPC1
SCHEMBL11083397 0.93 POLB (0.73) POLBHPGDKDM4EALDH1A1NPC1
SCHEMBL11090290 0.86 POLB (0.64) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL11090294 0.86 POLB (0.64) POLBKDM4EALDH1A1NPC1RAB9A
SCHEMBL11084839 0.84 SMN1; SMN2 (0.60) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11084837 0.84 SMN1; SMN2 (0.60) POLBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL11088835 0.84 HPGD (0.59) POLBTUBB4ATUBBTUBA3CTUBA1B

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
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