SCHEMBL8447111

SCHEMBL8447111

O=C(c1ccccc1)c1[nH]c2ccccc2c1Cl

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
MAP2 P11137 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
FOLH1 Q04609 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL16599058 0.89 ALDH1A1 (0.49) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL1613575 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL30220650 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL28911042 0.82 KDM4E (0.51) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL9654119 0.79 KDM4E (0.57) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL8343752 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL27949659 0.79 MAP2 (0.49) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL29150402 0.79 MAP2 (0.51) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL30601629 0.79 MAP2 (0.60) KDM4EALDH1A1HPGDMAP2MEN1
SCHEMBL2730936 0.79 MAP2 (0.60) KDM4EALDH1A1HPGDMAP2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1124262-C Indole derivatives as endothelin receptor antagonists PFIZER (US) 2003-10-15 CN disclosed
CN-1216531-A Indole derivatives as endothelin receptor antagonists PFIZER (US) 1999-05-12 CN disclosed
WO-1999020623-A1 INDOLE DERIVATIVE USEFUL AS ENDOTHELIN RECEPTOR ANTAGONIST PFIZER LIMITED (GB) 1999-04-29 WO disclosed
EP-0901470-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1999-03-17 EP disclosed
WO-1997043260-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1997-11-20 WO disclosed