SCHEMBL8701074

SCHEMBL8701074

CC(C)Oc1ccc(N(C(C)C)S(C)(=O)=O)cc1CC1(c2ccccc2)CCCCN1N

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

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
Hydrochloric Acid SCHEMBL8701612 0.99 KMT2A (0.33) KMT2AMEN1ALDH1A1PKMSMN1; SMN2
SCHEMBL8701894 0.92 SMN1; SMN2 (0.36) KMT2AMEN1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8701767 0.91 SMN1; SMN2 (0.35) KMT2AMEN1SMN1; SMN2LMNA
SCHEMBL8701299 0.91 TACR1 (0.36) KMT2AMEN1ALDH1A1PKM
Hydrochloric Acid SCHEMBL8702143 0.90 TACR1 (0.35) KMT2AMEN1ALDH1A1PKM
SCHEMBL8706539 0.84 KMT2A (0.32) KMT2AMEN1ALDH1A1PKM
Hydrochloric Acid SCHEMBL8701563 0.84 KMT2A (0.32) KMT2AMEN1ALDH1A1PKM
SCHEMBL8701943 0.83 NPSR1 (0.39) KMT2AMEN1ALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL8707078 0.82 NPSR1 (0.38) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL8703684 0.81 POLB (0.49) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA

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-5721255-A Substituted benzylamino nitrogen containing non-aromatic heterocycles PFIZER INC. (US) 1998-02-24 US claimed
US-5721255-A Substituted benzylamino nitrogen containing non-aromatic heterocycles PFIZER INC. (US) 1998-02-24 US disclosed