SCHEMBL3376186

SCHEMBL3376186

Cc1noc(C)c1S(=O)(=O)N(C)CC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BCL2 P10415 1/20 0.35
BCL2L1 Q07817 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TP53 P04637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3381234 0.87 FPR2 (0.39) ALDH1A1BCL2BCL2L1MEN1KMT2A
SCHEMBL3380067 0.86 FPR2 (0.39) LMNAALDH1A1NPSR1
SCHEMBL3377307 0.85 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL3379142 0.84 HRH3 (0.41) TSHRLMNAALDH1A1NPSR1MAPT
SCHEMBL3376674 0.84 CXCR4 (0.41) LMNAALDH1A1KMT2ATP53KDM4E
SCHEMBL3380056 0.83 CXCR4 (0.45) TSHRALDH1A1MEN1KMT2ATP53
SCHEMBL3376045 0.83 KDM4E (0.41) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL3379302 0.83 CXCR4 (0.42) ALDH1A1NPSR1SMN1; SMN2KDM4EPOLB
SCHEMBL3378684 0.82 ALDH1A1 (0.36) LMNAALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3378045 0.82 KDM4E (0.40) ALDH1A1MEN1KMT2ATP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed