SCHEMBL7900780

SCHEMBL7900780

Cn1ccc2ccc(C(=O)OCc3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.53
KMT2A Q03164 4/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
LMNA P02545 4/20 0.52
JMJD6 Q6NYC1 1/20 0.51
ALDH1A1 P00352 6/20 0.50
RAB9A P51151 5/20 0.50
MAPT P10636 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL3595480 0.83 LMNA (0.51) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL4255360 0.82 CA12 (0.51) TDP1LMNAJMJD6ALDH1A1RAB9A
SCHEMBL26781901 0.81 MAPT (0.50) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL7423685 0.80 JMJD6 (0.45) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6002245 0.80 KMT2A (0.70) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL2706461 0.77 KMT2A (0.66) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL11862997 0.77 KMT2A (0.66) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL30623233 0.77 KDM4E (0.56) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL232145 0.77 KDM4E (0.56) TDP1LMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5066704 0.77 TDP1 (0.50) TDP1KMT2ASLC6A2SLC6A3LMNA

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-6211223-B1 BENZODIOXOL-5-YL-2-METHOXY-4-METHYLPHENYLSULFONYLAMINO-2-OXO ETHYL-1-METHYL-1HINDOLE-6-CARBOXYLIC ACID PFIZER INC. 2001-04-03 US disclosed
WO-1999020623-A1 INDOLE DERIVATIVE USEFUL AS ENDOTHELIN RECEPTOR ANTAGONIST PFIZER LIMITED (GB) 1999-04-29 WO disclosed