Sugi Predict

Sugi Predict / Compounds / SCHEMBL17603648

SCHEMBL17603648

SCHEMBL17603648

CC[C@@H](O)[C@H]1C=C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2N1Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PNKP Q96T60 20/20 1.00

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
SCHEMBL22683117 1.00 PNKP (1.00) PNKP
SCHEMBL22683134 1.00 PNKP (1.00) PNKP
SCHEMBL17019712 0.90 PNKP (1.00) PNKP
SCHEMBL1703545 0.90 PNKP (1.00) PNKP
SCHEMBL22000575 0.90 PNKP (1.00) PNKP
SCHEMBL20512281 0.90 PNKP (1.00) PNKP
SCHEMBL22683120 0.90 PNKP (1.00) PNKP
SCHEMBL1703154 0.87 PNKP (0.88) PNKP
SCHEMBL22000586 0.85 PNKP (0.74) PNKP
SCHEMBL22000266 0.82 PNKP (0.69) PNKP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635579-B1 SYNTHETIC LETHALITY IN CANCER UNIV ALBERTA (CA) 2020-11-25 — — EP claimed
US-20160083732-A1 SYNTHETIC LETHALITY IN CANCER ALBERTA HEALTH SERVICES (CA) 2016-03-24 — — US claimed
EP-2635579-B1 SYNTHETIC LETHALITY IN CANCER UNIV ALBERTA (CA) 2020-11-25 — — EP disclosed
US-10087448-B2 Synthetic lethality in cancer THE GOVERNORS OF THE UNIVERSITY OF ALBERTA (CA) 2018-10-02 — — US disclosed
US-20160083732-A1 SYNTHETIC LETHALITY IN CANCER ALBERTA HEALTH SERVICES (CA) 2016-03-24 — — US disclosed