SCHEMBL8399382

SCHEMBL8399382

CN=C(Nc1cccc2cc3ccccc3cc12)N(C)c1cccc2cc3ccccc3cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIGMAR1 Q99720 6/20 0.45
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RAB9A P51151 4/20 0.34
NPC1 O15118 2/20 0.34
MCL1 Q07820 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
IDO1 P14902 1/20 0.34
CYP2C19 P33261 1/20 0.34
PPM1A P35813 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
SCHEMBL4982322 0.81 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL8399385 0.73 SIGMAR1 (0.61) SIGMAR1CYP2D6
SCHEMBL4981507 0.71 SIGMAR1 (0.73) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL4985918 0.71 KDM4E (0.64) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6717107 0.69 SIGMAR1 (0.42) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL8742588 0.69 SIGMAR1 (0.59) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL27844570 0.69 SIGMAR1 (0.56) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL8152318 0.69 MCL1 (0.58) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL3925314 0.68 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6728890 0.68 SIGMAR1 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA

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
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed