SCHEMBL18282019

SCHEMBL18282019

CCN1CCc2c(-c3nc4ccccc4s3)csc2C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 5/20 0.58
▸ LMNA P02545 2/20 0.52
▸ NPC1 O15118 5/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ POLB P06746 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 6/20 0.44
▸ ALDH1A1 P00352 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ DRD4 P21917 3/20 0.43
▸ DRD3 P35462 2/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL1292072 0.86 APEX1 (0.60) APEX1LMNANPC1RAB9APOLB
SCHEMBL13832486 0.83 APEX1 (0.57) APEX1NPC1RAB9APOLBSMN1; SMN2
SCHEMBL13833586 0.80 LMNA (0.60) APEX1LMNANPC1RAB9APOLB
SCHEMBL13833602 0.77 LMNA (0.70) APEX1LMNANPC1RAB9APOLB
SCHEMBL4710248 0.77 KDM4E (0.49) LMNANPC1RAB9APOLBSMN1; SMN2
SCHEMBL13833639 0.76 LMNA (0.63) APEX1LMNANPC1RAB9APOLB
SCHEMBL13833702 0.74 LMNA (0.59) APEX1LMNANPC1RAB9APOLB
SCHEMBL13833590 0.74 APEX1 (0.77) APEX1LMNANPC1RAB9APOLB
SCHEMBL13833641 0.74 LMNA (0.63) APEX1LMNANPC1RAB9APOLB
SCHEMBL13833669 0.74 LMNA (0.66) APEX1LMNANPC1RAB9APOLB

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-2016196910-A1 COMPOUNDS FOR THE MODULATION OF MYC ACTIVITY SYROS PHARMACEUTICALS, INC. (US) 2016-12-08 — — WO disclosed
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