SCHEMBL11320484

SCHEMBL11320484

Cc1nc(N(C)C)nc(Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
CREBBP Q92793 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE10A Q9Y233 2/20 0.37
HPGD P15428 1/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL14297683 0.82 LMNA (0.59) LMNACYP1A2THRBBLMCREBBP
SCHEMBL13647010 0.78 LMNA (0.48) LMNACYP1A2THRBBLMCREBBP
SCHEMBL11460831 0.77 PDE10A (0.50) LMNACYP1A2THRBBLMCREBBP
SCHEMBL13740917 0.76 TDP1 (0.39) KMT2AALDH1A1
SCHEMBL1423315 0.71 LMNA (0.46) LMNACYP1A2THRBBLMCREBBP
SCHEMBL6456004 0.71 LMNA (0.46) LMNACYP1A2THRBBLMCREBBP
SCHEMBL19382689 0.70 RXRA (0.34) KMT2AMEN1
SCHEMBL11324625 0.70 TLR8 (0.35) LMNACYP1A2THRBBLMCREBBP
SCHEMBL12036750 0.70 LMNA (0.50) LMNACYP1A2THRBBLMCREBBP
SCHEMBL27927754 0.70 LMNA (0.43) LMNACYP1A2THRBBLMCREBBP

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
EP-3962485-A1 SUBSTITUTED (PIPERIDIN-1-YL)ARYL ANALOGUES FOR MODULATING AVILACTIVITY University Of Virginia Patent Foundation (US) 2022-03-09 EP disclosed
US-4256738-A BACTERICIDES, PYRIMIDINYL, QUINAZOLINYL BOEHRINGER INGELHEIM GMBH (DE) 1981-03-17 US disclosed
EP-0001981-A1 9-(Omega-heteroarylamino-alkylamino)-erythromycins, their salts, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1979-05-30 EP disclosed