SCHEMBL11740201

SCHEMBL11740201

O=C(O)c1cc2ccccc2c(=O)s1.[NaH]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
HPGD P15428 3/20 0.69
MEN1 O00255 6/20 0.65
KMT2A Q03164 6/20 0.65
NPC1 O15118 3/20 0.65
MAPT P10636 3/20 0.65
RAB9A P51151 3/20 0.65
LMNA P02545 2/20 0.65
GAA P10253 1/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
BCL2L1 Q07817 1/20 0.58
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 4/20 0.48
GLA P06280 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CA12 O43570 1/20 0.45

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
SCHEMBL6836536 0.98 ALDH1A1 (0.71) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL11735393 0.81 ALDH1A1 (0.62) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL7461107 0.75 KDM4E (0.68) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL93858 0.73 BCL2L1 (1.00) RAB9ABCL2L1CA12CA1CA2
SCHEMBL29438783 0.73 BCL2L1 (1.00) RAB9ABCL2L1CA12CA1CA2
SCHEMBL11730860 0.72 ALDH1A1 (0.52) ALDH1A1HPGDGAASMN1; SMN2POLB
SCHEMBL11732800 0.72 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL443833 0.72 BCL2L1 (0.96) RAB9ABCL2L1CA12CA1CA2
SCHEMBL9578460 0.69 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL11734831 0.69 HDAC3 (0.50) ALDH1A1HPGDMEN1KMT2AMAPT

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-4018891-A INHIBITORS OF ANTIGEN-ANTIBODY REACTIONS RICHARDSON-MERRELL INC. (US) 1977-04-19 US disclosed
US-3960892-A ANTIGEN-ANTIBODY REACTION INHIBITION RICHARDSON-MERRELL INC. (US) 1976-06-01 US disclosed