SCHEMBL9640522

SCHEMBL9640522

O=C(c1ccc2ccccc2c1)c1cccc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55
TUBA3E Q6PEY2 2/20 0.55
TUBA1A Q71U36 2/20 0.55
TUBA1C Q9BQE3 2/20 0.55
TUBB6 Q9BUF5 2/20 0.55
TUBB2B Q9BVA1 2/20 0.55
TUBB1 Q9H4B7 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 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
SCHEMBL15435589 0.82 GPR84 (0.65) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL9266240 0.82 TUBB4A (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9640753 0.80 CDC25B (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9856895 0.80 CDC25B (0.56) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL9646527 0.79 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL27656847 0.79 ALDH1A1 (0.59) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL23709537 0.78 TUBB4A (0.56) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9641767 0.77 SMN1; SMN2 (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2014295 0.75 BCL2 (0.58) SMN1; SMN2MEN1MAPTMAPK1KMT2A
SCHEMBL9450062 0.74 GPR84 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-5081122-A Antiglaucoma compositions containing 4-arylcarbonyl-1-(4-morpholinyl)-lower-alkyl)-1H-indoles and method of use thereof STERLING DRUG INC. (US) 1992-01-14 US disclosed