SCHEMBL7980865

SCHEMBL7980865

Oc1cc2c(cc1O)-c1cc(O)c(O)cc1C2=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
BACE1 P56817 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
AR P10275 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL7987352 0.83 LCK (0.47) LCKMEN1KMT2ATDP1MAPT
SCHEMBL4541307 0.76 CYP19A1 (0.62) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL7983283 0.75 NQO2 (0.54)
SCHEMBL283216 0.74 CYP19A1 (0.67) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL7980263 0.74 CYP1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25400816 0.72 HPGD (0.48) MEN1KMT2ATDP1MAPTHPGD
SCHEMBL3816595 0.71 LRRK2 (0.57) ARMEN1KMT2ATDP1MAPT
SCHEMBL19420890 0.71 APP (0.45) LCKTUBB4ATUBBTUBA3CAR
SCHEMBL9635823 0.71 CYP19A1 (0.42) TUBB4ATUBBTUBA3CARTUBA1B
SCHEMBL1242518 0.71 PTPRC (0.47) LCKMEN1KMT2ATDP1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194439-B1 ANTICANCER AGENT PFIZER INC. 2001-02-27 US disclosed
WO-1992021660-A1 TRICYCLIC POLYHYDROXYLIC TYROSINE KINASE INHIBITORS PFIZER, INC. (US) 1992-12-10 WO disclosed