SCHEMBL8722345

SCHEMBL8722345

O=C(NCCc1ccccn1)c1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
EPHX2 P34913 1/20 0.60
MEN1 O00255 4/20 0.58
RAB9A P51151 4/20 0.58
CNR1 P21554 1/20 0.58
NPC1 O15118 3/20 0.58
ALDH1A1 P00352 1/20 0.57
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL31658991 0.86 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL9341104 0.86 KMT2A (0.83) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1
SCHEMBL13210647 0.86 RAB9A (0.59) KMT2ASMN1; SMN2MEN1RAB9ACNR1
SCHEMBL5210637 0.86 RAB9A (0.56) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL483578 0.84 RAB9A (0.74) KMT2ASMN1; SMN2MEN1RAB9ANPC1
SCHEMBL7704092 0.84 KMT2A (0.69) KMT2ASMN1; SMN2EPHX2MEN1RAB9A
SCHEMBL30131466 0.84 KMT2A (0.69) KMT2ASMN1; SMN2EPHX2MEN1RAB9A
SCHEMBL28606401 0.83 HIF1A (0.72) KMT2ARAB9ANPC1ALDH1A1POLB
SCHEMBL8722201 0.83 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL8516755 0.83 SMN1; SMN2 (0.90) KMT2ASMN1; SMN2EPHX2MEN1ALDH1A1

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
US-5789138-A Optical recording medium and method of producing the same RICOH COMPANY, LTD. (JP) 1998-08-04 US disclosed