SCHEMBL11747294

SCHEMBL11747294

Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP11B2 P19099 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34
TUBB2B Q9BVA1 1/20 0.34
TUBB1 Q9H4B7 1/20 0.34
MAPT P10636 5/20 0.34
RAB9A P51151 3/20 0.34

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
SCHEMBL11748107 0.79 RAB9A (0.54) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9215294 0.74 PRKD3 (0.38) ESR1ESR2CYP11B2MAPTRAB9A
SCHEMBL11751464 0.72 CHEK1 (0.45) CYP11B2MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL9172793 0.72 MAPT (0.44) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11743631 0.71 RAB9A (0.55) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11744578 0.71 MAPT (0.48) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL11780492 0.71 MEN1 (0.41) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL9172808 0.70 MAPT (0.39) MAPTRAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10498384 0.68 CYP1A2 (0.45) ESR1ESR2MAPTRAB9ASMN1; SMN2
SCHEMBL26153496 0.66 CYP1A2 (0.58) ESR1ESR2MAPTMEN1KMT2A

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-4021556-A PYRAZOLO(1,5A) PYRIMIDINE DERIVATIVES ICN PHARMACEUTICALS, INC. (US) 1977-05-03 US disclosed