SCHEMBL11224974

SCHEMBL11224974

CCCCCCN(CCCN)C(N)CCNCCCCCC(N)N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
RELA Q04206 4/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RRM1 P23921 1/20 0.35
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33

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
SCHEMBL7206058 0.78 ALDH1A1 (0.59) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL7208319 0.78 ALDH1A1 (0.59) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL1460230 0.78 ALDH1A1 (0.59) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL6429355 0.78 ALDH1A1 (0.59) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL31094081 0.76 TSHR (0.62) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL29153562 0.76 ALDH1A1 (0.46) RELATSHRALDH1A1RRM1PLA2G1B
SCHEMBL3132997 0.76 CA12 (0.41) TSHRALDH1A1TDP1KDM4EMEN1
Ethylene SCHEMBL10424785 0.75 ALDH1A1 (0.54) GNAI3GNAO1GNAI1TSHRALDH1A1
SCHEMBL1458415 0.75 ALDH1A1 (0.59) RELATSHRALDH1A1RRM1ANPEP
SCHEMBL1460242 0.75 ALDH1A1 (0.59) RELATSHRALDH1A1RRM1ANPEP

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-4326054-A ANTIBIOTIC AND ANTITUMOR AGENT ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-04-20 US disclosed