SCHEMBL10856870

SCHEMBL10856870

COc1cc(C=C2CCn3c2nc2cc(NC(=O)C(=O)O)ccc2c3=O)cc(OC)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.64
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
RAB9A P51151 2/20 0.61
MAPT P10636 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 1/20 0.57
POLB P06746 1/20 0.57
THRB P10828 1/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NME2 P22392 4/20 0.53
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 0.50
TUBA4A P68366 2/20 0.50
TUBB4B P68371 2/20 0.50

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
SCHEMBL10856824 1.00 ALOX5 (0.64) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10849926 0.93 ALOX5 (0.60) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10849882 0.93 ALOX5 (0.60) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10849851 0.93 ALOX5 (0.60) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10856266 0.91 MEN1 (0.73) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10856275 0.91 MEN1 (0.73) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10856912 0.90 ALOX5 (0.56) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10856932 0.90 ALOX5 (0.56) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10852678 0.89 MEN1 (0.56) ALOX5MEN1KMT2ARAB9AMAPT
SCHEMBL10852688 0.89 MEN1 (0.56) ALOX5MEN1KMT2ARAB9AMAPT

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-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 US disclosed