SCHEMBL8711710

SCHEMBL8711710

O=C(Nc1ccccc1)c1ccc2c3c(cccc13)C=C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
DEGS1 O15121 1/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
BCAT2 O15382 1/20 0.45
CYP3A4 P08684 2/20 0.45
METAP2 P50579 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CHRNB2 P17787 1/20 0.45

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
SCHEMBL10055004 0.81 MEN1 (0.71) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL5375991 0.78 TYMS (0.51) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL5378153 0.76 ALDH1A1 (0.56) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31150345 0.75 DEGS1 (0.78) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL368228 0.75 DEGS1 (0.78) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7841310 0.75 MEN1 (0.63) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL7539086 0.73 MEN1 (0.62) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30924880 0.73 ALDH1A1 (0.58) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL16131281 0.73 ATM (0.47) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL8765365 0.72 KDM4E (0.45) MEN1KMT2AALDH1A1HPGDKDM4E

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
US-5847006-A Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-12-08 US disclosed
EP-0746316-A4 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE INC (US) 1997-12-10 EP disclosed
EP-0746316-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1996-12-11 EP disclosed
WO-1995014467-A1 THERAPEUTIC GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1995-06-01 WO disclosed