SCHEMBL9585293

SCHEMBL9585293

S=c1[nH]ccn1CCc1cc[nH]n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55
DBH P09172 5/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL9584277 0.73 POLB (0.54) POLBKMT2AATMDBHALDH1A1
SCHEMBL9585681 0.73 POLB (0.50) POLBKMT2AATMDBHALDH1A1
SCHEMBL9585202 0.72 POLB (0.49) POLBKMT2AATMDBHALDH1A1
SCHEMBL9583743 0.70 POLB (0.47) POLBKMT2AATMDBH
Hydrochloric Acid SCHEMBL17361360 0.68
SCHEMBL11565100 0.67
SCHEMBL9584015 0.67 POLB (0.54) POLBKMT2AATMDBHALDH1A1
SCHEMBL26129787 0.66
SCHEMBL9442374 0.66 POLB (0.53) POLBKMT2AATMDBHALDH1A1
SCHEMBL9594134 0.66 POLB (0.53) POLBKMT2AATMDBHALDH1A1

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-5189052-A Hypotensive agent MERRELL DOW PHARMACEUTICALS INC. (US) 1993-02-23 US disclosed
US-5057613-A Hypotensive agents MERRELL DOW PHARMACEUTICALS (US) 1991-10-15 US disclosed
US-4810800-A HYPOTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1989-03-07 US disclosed