SCHEMBL9477129

SCHEMBL9477129

COc1cc2c(cc1OC)C(=C(C#N)SCC(O)CN(CCO)CCO)NCC2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CHEK1 O14757 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30
POLB P06746 1/20 0.30

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
Hydrochloric Acid SCHEMBL9479486 0.99 KMT2A (0.32) KMT2AMEN1CHEK1PDE4APDE4B
SCHEMBL9477694 0.91 ABCC4 (0.36) PDE4A
SCHEMBL9478024 0.91 KMT2A (0.33) KMT2AMEN1CHEK1
Hydrochloric Acid SCHEMBL9478051 0.90 ABCC4 (0.36) PDE4A
Hydrochloric Acid SCHEMBL9476039 0.90 KMT2A (0.33) KMT2AMEN1CHEK1
SCHEMBL9475901 0.82 ACHE (0.38) PDE4A
Hydrochloric Acid SCHEMBL9476844 0.81 ACHE (0.37) PDE4A
SCHEMBL9476703 0.81 KMT2A (0.33) KMT2AMEN1
SCHEMBL9475100 0.80 KMT2A (0.33) KMT2AMEN1
Hydrochloric Acid SCHEMBL9477539 0.80 KMT2A (0.33) KMT2AMEN1

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
US-5179089-A Antiallergens, asthma CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-01-12 US claimed
EP-0486211-A1 Isoquinoline derivatives CHINOIN Gyògyszer és Vegyészeti Termékek Gyára RT. (HU) 1992-05-20 EP claimed