SCHEMBL7422189

SCHEMBL7422189

COc1cc(C(CN)c2ccccc2C)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41

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
SCHEMBL7409035 0.82 ADRA2A (0.40) KMT2AMEN1ALDH1A1HTR2AHTR2C
SCHEMBL2066360 0.77 TAAR1 (0.60) HTR2AHTR2CHTR2BADRA2AADRA1A
SCHEMBL516440 0.75 ESR1 (0.48) HTR2AHTR2CHTR2BACHEADRA2A
SCHEMBL21495213 0.74 IDO1 (0.56) KMT2AMEN1HTR2APOLBIDO1
SCHEMBL2086020 0.74 IDO1 (0.56) KMT2AMEN1HTR2APOLBIDO1
SCHEMBL8755736 0.73 MEN1 (0.56) KMT2AMAPTMEN1SMN1; SMN2MAPK1
SCHEMBL3905408 0.70 TAAR1 (0.41) KMT2AMEN1ALDH1A1HTR2AIDO1
SCHEMBL7412490 0.70 TACR1 (0.46) IDO1TDO2CACNA1C
SCHEMBL28801416 0.69 HTR2A (0.50) MAPTTUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL11873422 0.68 KMT2A (0.54) KMT2AMAPTMEN1SMN1; SMN2MAPK1

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
WO-1988003147-A1 SELECTED N6-SUBSTITUTED ADENOSINES HAVING SELECTIVE A2 BINDING ACTIVITY WARNER-LAMBERT COMPANY (US) 1988-05-05 WO disclosed