Sugi Predict

Sugi Predict / Compounds / SCHEMBL6835377

SCHEMBL6835377

SCHEMBL6835377

COc1ccc(CCNC(=O)C2CCCN2c2cc(C)nc(-n3ccnc3)n2)cc1OC

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 11/20 0.74
▸ NOS1 P29475 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL5189909 0.97 NOS2 (0.70) NOS2NOS1ALDH1A1L3MBTL1KMT2A
SCHEMBL5192994 0.95 NOS2 (0.67) NOS2NOS1ALDH1A1L3MBTL1KMT2A
SCHEMBL5191394 0.92 NOS2 (0.62) NOS2ALDH1A1L3MBTL1KMT2AHTT
SCHEMBL6836696 0.91 NOS2 (0.75) NOS2ALDH1A1KMT2AHTTMAPT
SCHEMBL5195083 0.91 NOS2 (0.75) NOS2
SCHEMBL5190587 0.91 NOS2 (0.74) NOS2NOS1ALDH1A1KMT2AKDM4E
SCHEMBL5192772 0.89 NOS2 (0.63) NOS2ALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL5192678 0.88 NOS2 (0.78) NOS2NOS1
SCHEMBL5194551 0.88 NOS2 (0.71) NOS2ALDH1A1L3MBTL1KMT2AHTT
SCHEMBL5190604 0.88 NOS2 (0.77) NOS2ALDH1A1TSHR

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-6747031-B2 MUSCLE RELAXANTS, CONTROLLING IMMUNOLOGY, STROKES, ANTIDIABETIC AGENTS BERLEX LABORATORIES, INC. 2004-06-08 — — US disclosed