SCHEMBL9766726

SCHEMBL9766726

O=Cc1ccc(-c2ccc(C=O)[nH]2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
HIF1A Q16665 13/20 0.41
EPAS1 Q99814 13/20 0.41
CYP2A6 P11509 1/20 0.38
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL1309456 0.84
SCHEMBL12687033 0.81 ALDH1A1 (0.41) ALDH1A1MAPTHIF1AEPAS1CYP2A6
SCHEMBL7047428 0.75 ALDH1A1 (0.40) ALDH1A1MAPTCYP2A6MEN1LMNA
SCHEMBL2958085 0.75 GAA (0.45) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL3878366 0.74 ALDH1A1 (0.40) ALDH1A1MAPTHIF1AEPAS1LMNA
SCHEMBL18946176 0.73 ALDH1A1 (0.39) ALDH1A1MAPTHIF1AEPAS1
SCHEMBL9227796 0.73 MAPT (0.58) ALDH1A1MAPTMEN1KMT2A
SCHEMBL12989909 0.72
SCHEMBL2818048 0.72
SCHEMBL5917932 0.72

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-5015478-A Treatment of cancer with porphycene CYTOPHARM, INC. (US) 1991-05-14 US disclosed
US-4913907-A LIPOSOMES CYTOPHARM, INC. (US) 1990-04-03 US disclosed