SCHEMBL6721207

SCHEMBL6721207

O=C(c1ccccc1)c1cc(I)c(O)c(I)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
ALDH1A1 P00352 1/20 0.58
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EYA3 Q99504 2/20 0.53
CYP2C19 P33261 1/20 0.53
SRD5A2 P31213 1/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
BIRC5 O15392 1/20 0.49
ABCB11 O95342 1/20 0.49
TTR P02766 1/20 0.49
PGR P06401 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD1 P21728 1/20 0.49

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
SCHEMBL5303103 0.87 TTR (0.52) GABRA1GABRB1EYA3CYP2C19MEN1
SCHEMBL6732706 0.83 TPMT (0.46) GABRA1GABRB1ALDH1A1EYA3CYP2C19
SCHEMBL6720720 0.83 LMNA (0.62) ALDH1A1TDP1L3MBTL1EYA3CYP2C19
SCHEMBL6725029 0.82 VCAM1 (0.56) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL24419784 0.82 ALDH1A1 (0.64) ALDH1A1EYA3CYP2C19SRD5A2LMNA
SCHEMBL1602430 0.80 ATM (0.57) ALDH1A1ATMTDP1L3MBTL1EYA3
SCHEMBL6723795 0.80 TTR (0.51) ALDH1A1ATMTDP1EYA3CYP2C19
SCHEMBL31255439 0.80 CNR2 (0.57) GABRA1GABRB1ALDH1A1ATMTDP1
SCHEMBL3349765 0.79 ATM (0.84) GABRA1GABRB1ALDH1A1ATMTDP1
SCHEMBL13045507 0.79 ATM (0.84) GABRA1GABRB1ALDH1A1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677473-B1 TREATMENT, PREVENTION OR AMELIORATION OF ONE OR MORE SYMPTOMS OF THROMBOTIC DISORDERS, UNSTABLE ANGINA OR CANCER CORVAS INTERNATIONAL INC 2004-01-13 US disclosed
WO-2001036351-A2 PLASMINOGEN ACTIVATOR INHIBITOR ANTAGONISTS RELATED APPLICATIONS CORVAS INTERNATIONAL, INC. (US) 2001-05-25 WO disclosed
US-6063815-A TREATMENT OF METABOLIC DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-16 US disclosed