SCHEMBL30958243

SCHEMBL30958243

CN(C)CCCNc1nc(CN2CCNCC2)nc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ KDM1A O60341 1/20 0.52
▸ EHMT2 Q96KQ7 1/20 0.52
▸ RAD52 P43351 4/20 0.52
▸ TOP2A P11388 2/20 0.51
▸ POLB P06746 3/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ SLC2A1 P11166 1/20 0.50
▸ APOBEC3A P31941 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ APOBEC3G Q9HC16 1/20 0.50
▸ FLT3 P36888 9/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.48
▸ TLR9 Q9NR96 1/20 0.45
▸ TRIM58 Q8NG06 1/20 0.44

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
SCHEMBL4632298 1.00 ALDH1A1 (0.55) ALDH1A1MAPK1KDM1AEHMT2RAD52
Hydrochloric Acid SCHEMBL30958244 0.99 ALDH1A1 (0.56) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL4631081 0.88 KDM1A (0.63) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585779 0.88 ALDH1A1 (0.56) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL30958288 0.86 KDM1A (0.46) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585296 0.86 ALDH1A1 (0.51) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585352 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL13158864 0.85 KDM1A (0.52) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585338 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585295 0.85 KDM1A (0.55) ALDH1A1MAPK1KDM1AEHMT2RAD52

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
WO-2024112611-A1 TARGETED PROTEIN MODIFICATION WEATHERWAX BIOTECHNOLOGIES CORPORATION (US) 2024-05-30 — — WO disclosed
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