SCHEMBL6879225

SCHEMBL6879225

CCN(CC)C(=O)c1cc(N)c2nc(-c3ccc(C)s3)nn2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.62
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6885567 0.90 ADORA2A (0.52) ADORA2AALDH1A1HPGDKDM4ENPSR1
SCHEMBL6876856 0.86 ADORA2A (0.64) ADORA2A
SCHEMBL6883010 0.84 ADORA2A (0.64) ADORA2A
SCHEMBL6883012 0.81 ADORA2A (0.44) ADORA2ANPC1
SCHEMBL6883434 0.81 ADORA2A (0.46) ADORA2AALDH1A1HPGDKDM4E
SCHEMBL6884874 0.80 ADORA2A (0.67) ADORA2A
SCHEMBL6884609 0.80 ADORA2A (0.79) ADORA2AALDH1A1
SCHEMBL6879136 0.78 ADORA2A (0.70) ADORA2AALDH1A1HPGDNPC1RAB9A
SCHEMBL18269280 0.77 ADORA2A (0.58) ADORA2AALDH1A1HPGDLMNA
SCHEMBL6884088 0.77 ADORA2A (0.70) ADORA2A

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-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-6689790-B2 8-AMINO-6-AMIDO-SUBSTITUTED-(1,2,4)TRIAZOLO(1,5-A)PYRIDINES; ADENOSINE RECEPTOR MODULATERS HOFFMANN-LA ROCHE INC. 2004-02-10 US disclosed