SCHEMBL7958055

SCHEMBL7958055

O=C(NCc1ccncc1)C1=C(O)CCn2c1nc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60

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
SCHEMBL7961777 0.92 KDM4E (0.65) POLBHPGDKMT2A
SCHEMBL7958238 0.84 POLB (0.80) POLBHPGDKMT2A
SCHEMBL7950010 0.82 KDM4E (0.62) POLBHPGDKMT2A
SCHEMBL7422885 0.80 HPGD (0.64) POLBHPGDKMT2A
SCHEMBL7949782 0.79 POLB (0.73) POLBHPGDKMT2A
SCHEMBL8873034 0.79 POLB (0.66) POLBHPGDKMT2A
SCHEMBL6222042 0.78 HPGD (0.50) POLBHPGDKMT2A
SCHEMBL7964315 0.78 POLB (0.71) POLBHPGDKMT2A
SCHEMBL6221183 0.78 HPGD (0.49) POLBHPGDKMT2A
Hydrochloric Acid SCHEMBL6221618 0.78 HPGD (0.49) POLBHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US claimed
US-6218384-B1 FOR THERAPY OF ANXIETY, MUSCLE SPASMS, SLEEPLESSNESS, CONVULSIONS AND BENZODIAZEPINE OVERDOSES ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-04-17 US disclosed
US-5639760-A USEFUL AS MUSCLE RELAXANTS, SEDATIVES, ANXIOLYTICS, ANTICONVULSANTS, AND ANTIDOTES FOR DRUG OVERDOSE MARYANOFF BRUCE E (US) 1997-06-17 US disclosed