SCHEMBL2328850

SCHEMBL2328850

C=CC[C@@H](O)c1cnc2ccccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
PDGFRB P09619 2/20 0.44
PDGFRA P16234 2/20 0.44
RAB9A P51151 2/20 0.42
CYP1A2 P05177 1/20 0.41
MGAM O43451 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NQO1 P15559 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL23491381 0.82 RAB9A (0.41) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL6664822 0.81 CYP3A4 (0.49) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL9829481 0.80 CYP1A2 (0.49) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL29800505 0.80 CYP1A2 (0.44) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL372069 0.80 CYP1A2 (0.44) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL29459383 0.77 SMN1; SMN2 (0.41) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL28673131 0.77 SMN1; SMN2 (0.41) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL2327633 0.77 KMT2A (0.44) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL2327636 0.77 KMT2A (0.44) KMT2AMEN1PDGFRBPDGFRARAB9A
SCHEMBL4065530 0.77 CYP1A2 (0.48) PDGFRBPDGFRARAB9ACYP1A2MGAM

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
WO-2011099947-A1 A NEW CLASS OF HIGHLY APOPTOTIC ANTI-CANCER AGENTS CAGIR ALI (TR) 2011-08-18 WO disclosed