SCHEMBL4611362

SCHEMBL4611362

CCCc1c(C(=O)NCc2ccccc2OCC)n(N)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.52
LMNA P02545 4/20 0.52
KDM4E B2RXH2 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
HTT P42858 1/20 0.50
THRB P10828 2/20 0.48
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CACNA1G O43497 2/20 0.44

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
SCHEMBL4612617 0.91 MEN1 (0.52) TP53KDM4EMEN1KMT2AALDH1A1
SCHEMBL4613206 0.83 MEN1 (0.41) TP53LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL4611365 0.77 KDM4E (0.52) TP53LMNAKDM4ESMN1; SMN2MEN1
SCHEMBL7047164 0.76 CA2 (0.52) KMT2AMAPTALDH1A1ALOX15
SCHEMBL7044448 0.75 HTR4 (0.41)
SCHEMBL7039562 0.74 RORC (0.54) ALDH1A1ALOX15
SCHEMBL7046082 0.73 P2RX7 (0.44) KDM4ESMN1; SMN2KMT2A
SCHEMBL7046652 0.73 P2RX7 (0.47) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6746510 0.72 P2RX7 (0.48) KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7049352 0.70 MEN1 (0.49) LMNAKDM4ESMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP claimed
US-20040116503-A1 Indole derivatives useful for the treatment of diseases PFIZER INC. 2004-06-17 US claimed
EP-1556034-B1 INDOLE DERIVATIVES AS BETA-2 AGONISTS PFIZER LTD (GB) 2008-04-16 EP disclosed
EP-1440966-A1 Indole derivatives useful for the treatment of diseases Pfizer Limited (GB) 2004-07-28 EP disclosed