SCHEMBL16486457

SCHEMBL16486457

Fc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 3/20 0.61
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ TERT O14746 2/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ HTT P42858 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HDAC3 O15379 1/20 0.53
▸ HDAC1 Q13547 1/20 0.53
▸ HDAC2 Q92769 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.53
▸ HDAC6 Q9UBN7 1/20 0.53
▸ METAP2 P50579 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ ATM Q13315 1/20 0.50

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
SCHEMBL6404838 0.87 CYP3A4 (0.78) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL16486196 0.78 SMN1; SMN2 (0.69) KMT2AMEN1ALDH1A1LMNAMAPK1
SCHEMBL6410759 0.78 CYP3A4 (0.83) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6402486 0.76 CYP3A4 (0.72) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6408279 0.76 CYP3A4 (0.80) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6408014 0.75 CYP3A4 (0.71) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL6403463 0.75 CYP3A4 (0.73) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL29020535 0.75 TERT (0.58) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL29020511 0.72 METAP2 (0.52) PTK2CYP3A4CYP2C9KMT2AMEN1
SCHEMBL30498867 0.72 METAP2 (0.52) PTK2CYP3A4CYP2C9KMT2AMEN1

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
WO-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 — — WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 — — WO disclosed
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