SCHEMBL12373452

SCHEMBL12373452

CC(N)CNc1nc(NCC(C)N)nc(NCC(C)N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.45
IDH1 O75874 1/20 0.41
LMNA P02545 1/20 0.36
CYP1A2 P05177 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2C19 P33261 1/20 0.35
CCNE2 O96020 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
ESR2 Q92731 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCD Q05655 1/20 0.35
BCDIN3D Q7Z5W3 3/20 0.34

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
SCHEMBL10033611 0.89 LMNA (0.54) ESR1IDH1LMNAGAAKMT2A
SCHEMBL17564557 0.84 LMNA (0.48) ESR1LMNAGAABCDIN3DKMT2A
SCHEMBL5730870 0.77 ALDH1A1 (0.50) ESR1LMNACYP1A2CCNE2CCNA2
SCHEMBL1562104 0.75 KMT2A (0.46) KMT2A
SCHEMBL1561483 0.75 KMT2A (0.46) KMT2A
SCHEMBL8466516 0.74 ESR1 (0.45) ESR1IDH1CDK2
SCHEMBL9635149 0.70 GBA1 (0.39) ESR1IDH1CCNE1CDK2HRH4
SCHEMBL15786329 0.70 ESR1 (0.57) ESR1IDH1GAAESR2HRH4
SCHEMBL30987956 0.69 HSP90AA1 (0.43) GAAMEN1KMT2A
SCHEMBL9061566 0.69 ESR1 (0.55) ESR1IDH1ESR2HRH4MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8007546-B2 Treating polyamide fibers before, during or after dyeing with a liquor comprising a derivative of diamino-1,3,5-triazine, triamino-1,3,5-triazine, diaminohalo-1,3-5-triazine, or diaminooxy-1,3,5-triazine; colorfastness HUNTSMAN INTERNATIONAL LLC (US) 2011-08-30 US disclosed
US-8007546-B2 Treating polyamide fibers before, during or after dyeing with a liquor comprising a derivative of diamino-1,3,5-triazine, triamino-1,3,5-triazine, diaminohalo-1,3-5-triazine, or diaminooxy-1,3,5-triazine; colorfastness HUNTSMAN INTERNATIONAL LLC (US) 2011-08-30 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed
US-20080178395-A1 Method of Increasing Depth Shade HUNTSMAN INTERNATIONAL LLC. (TX) 2008-07-31 US disclosed