SCHEMBL11561674

SCHEMBL11561674

O=C(OCc1ccc([N+](=O)[O-])cc1)C1Cc2sccc2CN1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.48
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 2/20 0.41
▸ GBA1 P04062 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL11427641 0.85 ACE (0.42) TDP1ALDH1A1
Hydrochloric Acid SCHEMBL11560085 0.84 ACE (0.41) TDP1
SCHEMBL11428707 0.76 CA9 (0.41) TDP1ALDH1A1
SCHEMBL7458698 0.75 MCHR1 (0.53) TDP1ATMALDH1A1GBA1
SCHEMBL11557147 0.70 ACE (0.53) —
SCHEMBL11557917 0.69 FKBP1A (0.40) TDP1
SCHEMBL11554022 0.69 BRD4 (0.38) TDP1ALDH1A1MAPTHPGDRAB9A
SCHEMBL9782021 0.68 ALDH1A1 (0.55) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL6141087 0.68 TDP1 (0.59) TDP1ATMALDH1A1MAPTHPGD
SCHEMBL28659822 0.68 TDP1 (0.54) TDP1ATMALDH1A1MAPTHPGD

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-4147787-A ANTICOAGULANTS PARCOR (FR) 1979-04-03 — — US disclosed
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